data_1wj1_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 1wj1 _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 ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 22' ' ' ARG . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ILE . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.549 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 63' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 62' ' ' VAL . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG ' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 81' ' ' LYS . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' CG ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 50.7 tp60 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.455 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 90' ' ' GLU . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 89' ' ' ILE . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 109' ' ' CYS . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.409 ' N ' HG23 ' A' ' 108' ' ' ILE . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 20.1 m-70 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.432 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 43.3 t-80 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.565 HG12 ' CE1' ' A' ' 105' ' ' PHE . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.455 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.488 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ILE . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.606 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' LYS . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' ASP . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 56.1 tp60 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.435 HG22 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.459 ' CB ' ' HE1' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.427 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 63.5 m-70 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.459 ' HE1' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.433 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.446 ' CG2' ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.446 ' NE ' ' CG2' ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.53 HG11 ' CE1' ' A' ' 105' ' ' PHE . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' HIS . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.435 ' CB ' HG22 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 24' ' ' GLY . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' N ' ' HG1' ' A' ' 23' ' ' THR . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.552 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 51' ' ' VAL . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 46' ' ' ILE . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 ' NE2' ' A' ' 45' ' ' HIS . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 58' ' ' GLY . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 57' ' ' THR . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG22 ' CG ' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.552 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 28' ' ' PHE . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' LYS . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' CG ' HG22 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.481 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.589 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.549 HG23 ' CD2' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m170 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.408 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.458 ' CB ' HG23 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LYS . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.405 HD21 ' CB ' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.593 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.418 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.593 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 58' ' ' GLY . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 HG23 ' NZ ' ' A' ' 81' ' ' LYS . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' CE1' ' A' ' 28' ' ' PHE . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' LYS . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' ASP . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.459 ' NE2' ' CB ' ' A' ' 91' ' ' LYS . 37.7 tp60 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 51' ' ' VAL . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 109' ' ' CYS . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.417 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.418 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 6.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 84.2 m-70 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.446 ' CB ' ' OG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 105' ' ' PHE . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.459 ' CB ' HG23 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' C ' HG11 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 20' ' ' GLY . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG22 ' CA ' ' A' ' 139' ' ' ALA . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.6 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.6 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 63' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' A' ' 28' ' ' PHE . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' LYS . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CD ' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 96' ' ' ALA . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.42 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 40.5 m-20 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 94.3 m-70 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.495 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' HIS . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.448 ' CA ' HG22 ' A' ' 21' ' ' VAL . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG23 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 22' ' ' ARG . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.492 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CD ' HG11 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.548 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LYS . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 88' ' ' THR . 38.3 tp60 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.463 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 96' ' ' ALA . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 51' ' ' VAL . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 109' ' ' CYS . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.434 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 19.8 m-70 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.411 ' CA ' HG23 ' A' ' 21' ' ' VAL . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.463 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.514 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' CG ' ' HE3' ' A' ' 25' ' ' LYS . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.579 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' HA2' ' A' ' 20' ' ' GLY . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.588 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.578 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.578 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' LYS . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.404 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 42.4 tp60 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' PHE . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.402 ' HG ' ' N ' ' A' ' 107' ' ' TYR . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.436 ' CD1' ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' ARG . 1.3 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 43.5 m-70 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD1' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.495 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.544 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' HD23 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ILE . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.538 HD23 ' CG1' ' A' ' 36' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' CE1' ' A' ' 28' ' ' PHE . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LYS . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' ASP . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.573 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.483 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 47.6 t-80 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 133' ' ' SER . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLN . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' ARG . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 139' ' ' ALA . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.571 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD22 ' CB ' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.602 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 36' ' ' VAL . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.569 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' A' ' 28' ' ' PHE . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' LYS . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 51' ' ' VAL . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 136' ' ' VAL . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.501 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.409 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG13 ' CE1' ' A' ' 105' ' ' PHE . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 15.4 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' GLN . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 31' ' ' LYS . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.576 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' A' ' 46' ' ' ILE . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CD1' ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ILE . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 81' ' ' LYS . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.453 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 88' ' ' THR . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.504 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.476 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 91' ' ' LYS . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 136' ' ' VAL . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 21.2 m-70 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.432 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 19.8 t-80 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.425 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.476 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.556 ' O ' ' CE1' ' A' ' 134' ' ' HIS . 6.9 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.566 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' SER . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ILE . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CE2' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.566 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 28' ' ' PHE . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' HG11 ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CE1' HG11 ' A' ' 136' ' ' VAL . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.452 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.444 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.472 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.426 ' CB ' HG23 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.5 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 121' ' ' CYS . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ILE . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.521 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 10.8 m-80 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' HG13 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.408 ' CD1' ' C ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 51.0 m-70 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' A' ' 33' ' ' LEU . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 105' ' ' PHE . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.467 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG11 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 23' ' ' THR . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.586 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' ARG . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.586 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 28' ' ' PHE . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ASP . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ASP . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' A' ' 82' ' ' ASP . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 6.8 m-20 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 109' ' ' CYS . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.412 ' N ' HG23 ' A' ' 108' ' ' ILE . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.525 HG23 ' CD2' ' A' ' 120' ' ' HIS . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.471 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.525 ' CD2' HG23 ' A' ' 118' ' ' ILE . 34.9 m-70 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.538 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.411 ' NH2' ' OD1' ' A' ' 127' ' ' ASP . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG23 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 25' ' ' LYS . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.548 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.548 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 101' ' ' PHE . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' CE ' ' CG1' ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.586 HG23 ' CE1' ' A' ' 28' ' ' PHE . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 81' ' ' LYS . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 77' ' ' ASP . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.479 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 52.2 tp60 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE2' HG11 ' A' ' 51' ' ' VAL . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 109' ' ' CYS . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.408 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.484 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 45.6 m-70 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 55.3 t-80 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.559 HG13 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.4 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.487 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 21' ' ' VAL . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG2' ' HB1' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.552 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ILE . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' ARG . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 101' ' ' PHE . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 81' ' ' LYS . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.419 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.482 ' CD ' ' N ' ' A' ' 88' ' ' THR . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 51' ' ' VAL . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 122' ' ' PHE . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 109' ' ' CYS . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 108' ' ' ILE . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 59.1 t-80 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 137' ' ' GLY . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.561 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' GLN . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.51 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' CA ' HG21 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.539 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' ILE . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.539 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HE3' ' CE2' ' A' ' 101' ' ' PHE . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG22 ' CE1' ' A' ' 28' ' ' PHE . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' LYS . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 90' ' ' GLU . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 89' ' ' ILE . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CG2' HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 120' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 118' ' ' ILE . 33.1 m-70 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.431 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.422 HG21 ' CA ' ' A' ' 30' ' ' VAL . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.463 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.8 t-80 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.443 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 23.7 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 25' ' ' LYS . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CA ' HG21 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ILE . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 28' ' ' PHE . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 81' ' ' LYS . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' LYS . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' ASP . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 39.7 tp60 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.577 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' HG21 ' A' ' 89' ' ' ILE . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 62.7 m-70 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.42 HG21 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.52 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 135' ' ' ALA . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.455 ' CB ' HG23 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 146' ' ' ARG . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.49 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 28.0 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' A' ' 36' ' ' VAL . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' CG ' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.54 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' CB ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LYS . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.426 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' ASP . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.416 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 88' ' ' THR . 37.3 tp60 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.8 m-20 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' HA ' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 109' ' ' CYS . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.417 ' N ' HG23 ' A' ' 108' ' ' ILE . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 82.3 m-70 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.409 ' CB ' HD11 ' A' ' 33' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.505 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 9.7 t-160 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' HIS . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.413 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 139' ' ' ALA . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.415 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 64' ' ' ALA . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 121' ' ' CYS . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.552 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' ILE . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG23 ' CG ' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 28' ' ' PHE . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' LYS . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 34.3 tp60 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.402 ' CB ' ' HE1' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.429 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.1 m-70 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.448 ' O ' ' CD1' ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t-80 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB3' ' CG2' ' A' ' 21' ' ' VAL . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . 0.416 ' CB ' HG21 ' A' ' 89' ' ' ILE . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 145' ' ' GLU . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 18.4 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' C ' HG13 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' ALA . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' A' ' 46' ' ' ILE . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 45' ' ' HIS . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.528 HD22 ' CG1' ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CE1' ' A' ' 28' ' ' PHE . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LYS . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.482 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.449 ' CG2' ' CD ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 90' ' ' GLU . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 89' ' ' ILE . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' CD ' ' CG2' ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.469 ' CB ' ' HE2' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.54 ' CE1' HG13 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.525 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.56 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.469 ' HE2' ' CB ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 15.1 t-80 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.54 HG13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' HIS . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.469 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.61 -56.67 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -178.32 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.99 168.84 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.97 168.22 20.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.3 105.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.38 150.8 21.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.16 162.96 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.98 161.61 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -150.84 156.54 35.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.423 ' CE1' HE21 ' A' ' 15' ' ' GLN . 35.0 m80 -64.16 172.72 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -125.6 -42.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 -104.32 -54.13 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.423 HE21 ' CE1' ' A' ' 12' ' ' HIS . 2.0 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 22' ' ' ARG . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' ILE . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.549 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 63' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 62' ' ' VAL . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG ' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 81' ' ' LYS . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' CG ' HG21 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.413 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 50.7 tp60 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.455 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 90' ' ' GLU . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 89' ' ' ILE . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 109' ' ' CYS . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.409 ' N ' HG23 ' A' ' 108' ' ' ILE . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -42.76 155.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.94 38.61 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 p -142.87 -51.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.0 m -93.36 -103.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -178.04 47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -142.8 -168.6 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 -105.46 140.19 38.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 20.1 m-70 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.432 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 43.3 t-80 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.565 HG12 ' CE1' ' A' ' 105' ' ' PHE . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -44.51 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.5 mtmt -80.48 -57.34 3.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -62.5 -172.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 149.03 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.39 134.54 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 33.1 t -98.48 134.78 40.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 60.41 156.75 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.88 27.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.8 p -147.04 76.7 1.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 75.2 m -85.11 -59.72 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 59.85 85.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -68.73 150.26 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.05 172.74 1.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -59.39 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -165.63 108.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -114.87 4.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.36 110.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m 62.51 135.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.12 153.34 76.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 178.0 7.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 3.3 m170 -91.24 168.45 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 31.6 tt0 87.58 -39.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 -97.08 -56.57 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.488 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ILE . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.606 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' LYS . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' ASP . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 56.1 tp60 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.435 HG22 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.459 ' CB ' ' HE1' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.53 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.427 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 -48.08 137.8 10.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.51 -27.54 7.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.2 m -107.55 -18.24 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 67.02 53.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.245 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.455 ' NE ' ' CD ' ' A' ' 37' ' ' GLU . 1.5 ptp85 -145.32 -170.07 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -98.08 113.06 24.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 63.5 m-70 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.459 ' HE1' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.433 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.446 ' CG2' ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.446 ' NE ' ' CG2' ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.53 HG11 ' CE1' ' A' ' 105' ' ' PHE . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' HIS . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.435 ' CB ' HG22 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.479 HD22 ' CE ' ' A' ' 147' ' ' LYS . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -38.01 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.479 ' CE ' HD22 ' A' ' 144' ' ' LEU . 2.9 pttp -89.43 -50.79 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.474 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 1.6 pp0? -104.18 171.33 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.0 156.75 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -139.5 145.09 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -76.06 156.48 47.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 135.31 18.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.11 55.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.4 t 74.49 -58.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.01 146.43 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.74 -58.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.09 -141.8 8.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t 63.83 143.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 128.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.19 134.8 8.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.07 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -70.6 149.29 47.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.86 160.2 63.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 90.84 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -156.82 -67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 -84.44 -55.54 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.028 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 24' ' ' GLY . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' N ' ' HG1' ' A' ' 23' ' ' THR . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.552 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 51' ' ' VAL . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG1' HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 46' ' ' ILE . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 ' NE2' ' A' ' 45' ' ' HIS . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 58' ' ' GLY . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 57' ' ' THR . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG22 ' CG ' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.552 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 28' ' ' PHE . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' LYS . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' CG ' HG22 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.43 ' HB3' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.481 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.589 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.3 157.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.83 -40.23 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.7 p -57.56 -50.83 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.44 ' CG2' ' HD2' ' A' ' 116' ' ' ARG . 20.8 m -88.3 -17.39 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.96 49.27 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 37' ' ' GLU . 9.9 ptm180 -149.03 -166.08 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -97.51 134.51 40.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.003 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.549 HG23 ' CD2' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m170 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.408 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.458 ' CB ' HG23 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 147' ' ' LYS . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.42 64.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 mtmt -87.26 -57.29 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -104.56 -177.48 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 157.45 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.98 111.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.1 p -118.06 96.52 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -138.6 156.97 24.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.18 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.37 75.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -60.18 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 104.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -152.14 158.13 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 -94.31 2.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.78 108.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.97 138.21 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.43 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 162.57 39.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -120.3 51.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -70.77 152.52 95.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CE1' ' OG1' ' A' ' 16' ' ' THR . 0.2 OUTLIER -78.97 85.76 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -155.9 -67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 -92.45 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.427 ' OG1' ' CE1' ' A' ' 12' ' ' HIS . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 31' ' ' LYS . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.405 HD21 ' CB ' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.593 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.593 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 58' ' ' GLY . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 HG23 ' NZ ' ' A' ' 81' ' ' LYS . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' CE1' ' A' ' 28' ' ' PHE . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 81' ' ' LYS . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' ASP . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.459 ' NE2' ' CB ' ' A' ' 91' ' ' LYS . 37.7 tp60 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.475 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CZ ' HG11 ' A' ' 51' ' ' VAL . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.446 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 109' ' ' CYS . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.417 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 -40.31 121.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.57 77.7 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -174.44 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 3.7 m -84.46 -10.43 57.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 58.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 ptp85 -154.19 -178.19 6.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.418 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 6.5 m95 -98.38 132.8 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 84.2 m-70 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.446 ' CB ' ' OG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 105' ' ' PHE . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.459 ' CB ' HG23 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 147' ' ' LYS . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.76 -36.96 65.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -86.73 -57.1 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -107.4 -178.25 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -108.77 146.75 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -92.62 143.98 25.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 43.8 t 179.91 170.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 93.64 101.7 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 179.74 5.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -140.6 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.8 p -161.42 -57.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.52 115.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -124.3 170.34 10.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 151.79 20.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.87 94.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -142.35 96.92 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.33 101.26 0.41 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.32 127.31 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 m -64.02 163.17 12.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -145.75 160.95 42.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' CE1' HE21 ' A' ' 15' ' ' GLN . 41.8 m170 58.44 162.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -122.49 -53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 -95.04 -49.88 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.442 HE21 ' CE1' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' C ' HG11 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 20' ' ' GLY . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG22 ' CA ' ' A' ' 139' ' ' ALA . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.6 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 63' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' CE1' ' A' ' 28' ' ' PHE . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' LYS . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.469 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CD ' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 96' ' ' ALA . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.42 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 40.5 m-20 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.426 ' CB ' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 116' ' ' ARG . 10.0 t70 -49.64 155.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.06 -42.52 0.71 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 p -55.85 -50.27 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.427 HG21 ' NH1' ' A' ' 116' ' ' ARG . 40.4 m -85.29 -23.47 28.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 72.61 51.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.483 ' HD2' ' CD1' ' A' ' 118' ' ' ILE . 2.1 ptp85 -156.1 -171.62 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -94.41 123.97 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.483 ' CD1' ' HD2' ' A' ' 116' ' ' ARG . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 94.3 m-70 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.495 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' HIS . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.448 ' CA ' HG22 ' A' ' 21' ' ' VAL . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG23 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 148' ' ' GLN . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -92.39 -59.03 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -98.76 179.15 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -131.52 167.8 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.01 91.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 11.1 p -105.53 99.87 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -103.07 158.97 17.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.77 17.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.9 m -132.84 -55.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.3 m -159.08 -60.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -58.51 5.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.14 128.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.4 119.06 1.0 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -65.84 131.78 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -114.54 162.36 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 -116.62 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.11 112.47 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -146.33 161.53 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -135.74 149.08 67.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 16' ' ' THR . 3.5 t-160 -175.25 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -89.09 -37.29 15.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 -100.47 -41.71 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' HIS . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 22' ' ' ARG . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 22' ' ' ARG . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' CD ' HG11 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.548 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' LYS . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 88' ' ' THR . 38.3 tp60 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.485 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.463 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 96' ' ' ALA . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 51' ' ' VAL . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 109' ' ' CYS . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.434 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' ARG . 9.5 t70 -45.96 154.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.37 -46.08 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -47.98 -36.77 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.428 HG22 ' NH1' ' A' ' 116' ' ' ARG . 20.1 m -110.89 -17.49 13.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 63.49 59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HD2' ' CD1' ' A' ' 118' ' ' ILE . 2.1 ptp85 -150.22 -169.95 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -97.94 118.23 34.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 19.8 m-70 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.411 ' CA ' HG23 ' A' ' 21' ' ' VAL . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.463 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.517 ' CD2' ' CE ' ' A' ' 147' ' ' LYS . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.6 ptm180 -95.12 -25.7 16.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.517 ' CE ' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -97.5 -51.37 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 9.7 mt-30 -64.2 -169.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.66 151.94 48.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -56.48 140.87 44.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.3 t -174.81 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.87 107.94 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.52 6.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -157.13 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 -57.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -136.76 108.94 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.55 165.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.71 126.87 3.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 129.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -161.63 169.69 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 158.66 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.35 154.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.0 132.78 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.81 145.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.55 167.33 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.591 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -113.7 -26.28 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.514 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 -97.9 -70.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' CG ' ' HE3' ' A' ' 25' ' ' LYS . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.579 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' OG1' ' HA2' ' A' ' 20' ' ' GLY . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.522 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.588 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.578 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASP . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.578 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG22 ' CZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' LYS . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.448 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' ASP . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.404 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 42.4 tp60 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' PHE . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.402 ' HG ' ' N ' ' A' ' 107' ' ' TYR . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.436 ' CD1' ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.431 ' OD2' ' CG2' ' A' ' 113' ' ' THR . 1.3 t0 -39.81 113.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.12 48.55 2.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.431 ' CG2' ' OD2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -136.44 -61.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.391 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' CG ' ' A' ' 115' ' ' ARG . 53.1 m -81.93 -89.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' CG ' ' C ' ' A' ' 114' ' ' THR . 0.0 OUTLIER 167.91 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 4.3 ptp85 -152.19 -178.31 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -99.14 146.22 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 43.5 m-70 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 147' ' ' LYS . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -35.71 55.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -86.24 -56.92 3.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 pt20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.19 148.34 30.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -106.65 130.0 54.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.8 t -120.14 157.44 29.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.69 98.99 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.73 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 m -159.0 -57.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.78 82.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.99 166.59 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 120.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -74.85 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -40.95 -57.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.03 117.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.89 89.28 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.46 119.3 24.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.76 101.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 154.66 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.429 ' CB ' ' HB ' ' A' ' 16' ' ' THR . 35.3 m170 65.7 139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' OE1' ' NH2' ' A' ' 131' ' ' ARG . 27.2 mm-40 -114.09 -52.43 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 -96.33 -57.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.429 ' HB ' ' CB ' ' A' ' 12' ' ' HIS . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' OD1' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.495 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.544 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' HD23 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' ILE . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG12 ' CZ ' ' A' ' 101' ' ' PHE . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD23 ' CG1' ' A' ' 36' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' CE1' ' A' ' 28' ' ' PHE . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 HD11 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LYS . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' ASP . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.573 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -44.46 128.75 6.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.68 1.6 66.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 p -98.66 -43.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.1 m -95.58 -19.61 19.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.436 ' CD ' ' HG3' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -148.65 -175.04 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.71 120.61 34.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.428 ' NH2' ' OE1' ' A' ' 13' ' ' GLN . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.483 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 47.6 t-80 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 133' ' ' SER . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 148' ' ' GLN . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -29.08 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 144' ' ' LEU . 38.8 mtmt -87.24 -59.05 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.5 mt-30 -57.74 147.11 28.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 148' ' ' GLN . 21.6 mtmt -40.62 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -40.79 141.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 16.0 m -169.92 73.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.63 158.95 25.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.422 ' O ' ' NH1' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -123.25 -65.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.0 t -172.08 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -143.01 132.45 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 157.59 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.76 146.71 11.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.31 103.42 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m 56.41 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.9 169.2 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -104.29 146.63 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -177.58 155.11 1.08 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.48 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 57.4 m170 -76.91 179.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 12' ' ' HIS . 16.2 mm-40 80.82 -49.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 -91.75 -62.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLN . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' ARG . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 139' ' ' ALA . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.571 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD22 ' CB ' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.602 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' HB1' ' CG2' ' A' ' 36' ' ' VAL . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.569 HG13 ' CZ ' ' A' ' 101' ' ' PHE . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' A' ' 28' ' ' PHE . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' LYS . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 51' ' ' VAL . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.401 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CE1' HG13 ' A' ' 136' ' ' VAL . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -43.62 147.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.04 67.94 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 t -178.65 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 116' ' ' ARG . 18.2 m -68.27 -14.68 63.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.09 41.37 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' CD ' HG22 ' A' ' 114' ' ' THR . 9.8 ptm180 -153.25 -172.26 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -92.01 136.8 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.501 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.409 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.462 HG13 ' CE1' ' A' ' 105' ' ' PHE . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.465 HD21 ' CE ' ' A' ' 147' ' ' LYS . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -86.03 -34.32 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.476 ' CG ' ' N ' ' A' ' 148' ' ' GLN . 0.1 OUTLIER -89.86 -51.01 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 6.2 pt20 -109.16 172.78 6.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -110.42 142.2 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 161.61 27.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.27 117.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 172.49 173.81 39.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 177.63 8.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.4 p -148.19 -55.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 61.4 p -155.22 105.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -163.52 169.48 18.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 0.802 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -108.43 -59.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.52 108.14 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 62.12 154.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 -56.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.67 -141.55 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.53 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -98.01 75.79 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.07 157.69 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 m170 60.86 178.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.601 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG2' ' A' ' 16' ' ' THR . 38.0 mm-40 -139.1 -52.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 15.4 m95 -92.78 -63.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' GLN . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG13 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 31' ' ' LYS . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.576 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.47 ' CD2' HD13 ' A' ' 46' ' ' ILE . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.513 ' CD1' ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 46' ' ' ILE . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.576 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 81' ' ' LYS . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ASP . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.453 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 88' ' ' THR . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.504 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.476 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 91' ' ' LYS . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.48 ' CE1' HG11 ' A' ' 136' ' ' VAL . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 -39.46 150.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.37 43.87 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -144.63 -45.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -113.85 -133.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.56 26.98 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -110.51 -168.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 -115.48 165.59 12.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 21.2 m-70 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.432 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 19.8 t-80 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.425 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.476 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -49.39 -43.54 44.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -81.76 -57.08 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.74 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -91.25 -177.45 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -71.86 153.89 41.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.54 152.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -124.45 154.57 17.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -176.08 2.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 156' ' ' GLY . 3.3 t -126.25 -54.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 3.4 t 68.31 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -163.89 168.65 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -139.83 169.28 18.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.84 127.95 5.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -176.19 172.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -63.15 157.15 23.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.97 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.39 113.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.33 178.3 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.55 35.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 172.64 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.619 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 54.6 mt-30 -70.65 93.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 6.9 m0 87.65 -24.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.035 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.427 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.542 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.566 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' SER . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ILE . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG11 ' CE2' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.566 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.542 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 28' ' ' PHE . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' HG11 ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CE1' HG11 ' A' ' 136' ' ' VAL . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -47.88 153.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.25 -71.11 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.2 p -42.79 -38.3 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.476 ' CG2' ' HG2' ' A' ' 116' ' ' ARG . 90.6 m -79.18 -40.3 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 114' ' ' THR . 3.3 mtp180 82.36 44.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 114' ' ' THR . 2.1 ptp85 -158.65 -178.91 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -91.26 130.61 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.452 ' HE3' ' CB ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.444 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.472 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.426 ' CB ' HG23 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 147' ' ' LYS . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -32.36 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 144' ' ' LEU . 8.3 mtpt -85.02 -57.69 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.7 OUTLIER -112.3 -175.81 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 138.5 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.88 160.67 29.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.94 160.73 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -55.37 146.53 29.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -59.13 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.6 t -174.89 108.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.45 157.63 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.7 -59.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 135.31 3.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -147.05 162.3 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.008 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.34 148.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.62 169.18 26.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.86 117.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 125.25 37.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -114.69 152.74 46.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.02 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 11.0 m-70 -79.69 127.19 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 9.0 mt-30 160.32 -62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.564 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 -88.87 -62.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 13' ' ' GLN . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.5 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 121' ' ' CYS . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.554 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ILE . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.554 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.521 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 10.8 m-80 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' HG13 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.408 ' CD1' ' C ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 -47.69 161.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.33 -51.3 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 114' ' ' THR . 8.1 t -50.3 -54.01 24.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 115' ' ' ARG . 38.9 m -98.23 9.0 44.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 114' ' ' THR . 4.5 ptm180 34.14 38.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.431 ' NH1' HG23 ' A' ' 114' ' ' THR . 1.2 ptp85 -116.02 -169.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -96.57 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 51.0 m-70 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.417 ' CB ' HD11 ' A' ' 33' ' ' LEU . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.5 HG13 ' CZ ' ' A' ' 105' ' ' PHE . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.467 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 147' ' ' LYS . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.28 -37.89 71.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.9 mtmt -87.82 -57.19 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pt20 -104.75 172.09 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -137.32 55.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' HB2' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -92.7 151.58 19.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -81.48 -54.71 5.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 151' ' ' SER . . . 37.36 84.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 79.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -58.2 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -112.91 91.9 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -169.85 169.18 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 121.56 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -130.3 169.47 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 144.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.48 140.12 3.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.17 170.89 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -145.52 80.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -131.98 150.27 75.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 43.6 m80 -73.84 173.7 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 131' ' ' ARG . 0.4 OUTLIER 82.07 -49.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 -92.24 -56.85 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 107.949 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' C ' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG11 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.496 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 23' ' ' THR . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.586 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' ARG . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.586 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 28' ' ' PHE . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.447 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ASP . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ASP . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' A' ' 82' ' ' ASP . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG23 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 6.8 m-20 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 109' ' ' CYS . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.412 ' N ' HG23 ' A' ' 108' ' ' ILE . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.409 ' OD1' ' OG1' ' A' ' 113' ' ' THR . 9.1 t70 -51.92 147.57 6.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 -33.08 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.409 ' OG1' ' OD1' ' A' ' 111' ' ' ASP . 27.9 p -66.55 -37.97 86.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 116' ' ' ARG . 50.2 m -99.02 -27.78 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 114' ' ' THR . 0.0 OUTLIER 78.13 45.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.459 ' HG2' ' CG2' ' A' ' 114' ' ' THR . 1.4 ptp85 -155.76 170.63 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -80.89 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.014 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.525 HG23 ' CD2' ' A' ' 120' ' ' HIS . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.471 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.525 ' CD2' HG23 ' A' ' 118' ' ' ILE . 34.9 m-70 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.538 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 13' ' ' GLN . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG23 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 147' ' ' LYS . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -83.71 -25.25 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -100.2 -45.25 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 0.9 OUTLIER -109.52 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.92 173.69 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -117.0 134.44 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.26 96.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.9 113.85 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.2 13.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 79.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 97.3 p -106.71 80.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.69 146.39 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -142.05 -80.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -50.14 155.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER 163.99 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.04 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 155' ' ' SER . 0.1 OUTLIER -63.11 128.88 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.89 -96.2 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.72 152.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 71.1 m -147.13 73.87 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 56.05 163.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 177.14 -166.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' NE2' ' CZ ' ' A' ' 131' ' ' ARG . 3.1 tp-100 -109.1 -36.14 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 -111.4 -47.62 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.479 HG22 ' CG ' ' A' ' 25' ' ' LYS . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CG ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.56 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.548 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.548 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 101' ' ' PHE . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' CE ' ' CG1' ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.586 HG23 ' CE1' ' A' ' 28' ' ' PHE . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 81' ' ' LYS . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 77' ' ' ASP . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.479 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 52.2 tp60 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.559 ' CE2' HG11 ' A' ' 51' ' ' VAL . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 109' ' ' CYS . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.408 ' N ' HG21 ' A' ' 108' ' ' ILE . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 154.53 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.37 -9.59 23.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -97.2 -51.53 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.474 ' CG2' ' HG2' ' A' ' 116' ' ' ARG . 37.0 m -71.86 -23.07 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.08 38.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.474 ' HG2' ' CG2' ' A' ' 114' ' ' THR . 9.6 ptm180 -152.27 -170.72 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -91.18 130.74 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.484 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 45.6 m-70 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.454 ' CZ ' ' NE2' ' A' ' 13' ' ' GLN . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 55.3 t-80 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.559 HG13 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.4 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.487 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 148' ' ' GLN . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 3.4 ptm180 -95.84 -26.29 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 146' ' ' ARG . 30.3 mtmt -89.0 -57.25 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 144' ' ' LEU . 7.0 mt-30 -56.77 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -131.6 115.61 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -54.61 149.69 10.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 150' ' ' ARG . 0.4 OUTLIER 163.62 112.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -83.85 120.23 5.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.26 14.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.5 p -173.07 76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.1 t -42.63 -55.46 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -56.2 166.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -131.42 -60.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 -142.56 13.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -78.86 171.95 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.19 174.93 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -164.62 39.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.19 106.31 11.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.448 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -172.7 161.6 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 55.58 165.13 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -111.57 -165.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.526 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER 87.88 -18.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 -106.7 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLN . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' C ' ' N ' ' A' ' 21' ' ' VAL . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG2' ' HB1' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.552 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' ILE . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 53' ' ' ARG . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 101' ' ' PHE . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 81' ' ' LYS . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.419 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.482 ' CD ' ' N ' ' A' ' 88' ' ' THR . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 51' ' ' VAL . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 122' ' ' PHE . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 109' ' ' CYS . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 108' ' ' ILE . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 112' ' ' GLY . 14.6 t0 -44.22 150.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 111' ' ' ASP . . . -112.99 -43.69 0.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -65.5 -45.13 84.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 116' ' ' ARG . 54.8 m -81.37 -23.52 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 68.23 55.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 114' ' ' THR . 1.1 ptp85 -169.03 -179.22 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 -88.44 126.47 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 59.1 t-80 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 137' ' ' GLY . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.561 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 148' ' ' GLN . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.9 OUTLIER -88.33 -59.87 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pp0? -100.21 175.88 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 124.37 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.43 172.38 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.68 166.93 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -133.79 88.35 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.13 70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.81 82.86 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.771 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.28 152.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.38 -173.5 12.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.4 136.37 53.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.12 -61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.99 168.59 14.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.01 68.88 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 130.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -170.12 155.35 5.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.97 166.38 29.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.36 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.69 -40.53 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 -96.02 -66.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.056 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' GLN . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.51 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' CA ' HG21 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.539 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' ILE . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.539 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HE3' ' CE2' ' A' ' 101' ' ' PHE . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG22 ' CE1' ' A' ' 28' ' ' PHE . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' LYS . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' ASP . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.454 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.445 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 90' ' ' GLU . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' N ' HG21 ' A' ' 89' ' ' ILE . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CG2' HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ARG . 41.3 t0 -49.93 170.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.05 -45.48 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -50.71 -29.04 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.784 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.422 ' CG2' ' HG2' ' A' ' 116' ' ' ARG . 22.8 m -113.81 -16.63 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 63.77 57.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.46 ' CD ' ' HG3' ' A' ' 37' ' ' GLU . 1.6 ptp85 -160.05 -178.51 7.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -90.47 122.94 33.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 120' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 36' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.574 ' CD2' HG23 ' A' ' 118' ' ' ILE . 33.1 m-70 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.431 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.422 HG21 ' CA ' ' A' ' 30' ' ' VAL . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.463 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.8 t-80 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.5 ptm180 -95.22 -26.08 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 148' ' ' GLN . 0.1 OUTLIER -97.3 -50.45 4.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 8.7 mt-30 -61.12 -58.96 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 42.2 43.5 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.35 162.92 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -44.32 -51.73 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 151' ' ' SER . . . 40.12 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.22 40.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -156.26 79.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -58.27 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -142.34 88.36 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.97 142.52 34.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.94 132.24 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.23 137.2 36.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -61.06 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.25 5.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.03 86.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ARG . 95.4 p -177.89 153.29 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -38.29 155.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.59 34.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' CA ' ' HB3' ' A' ' 15' ' ' GLN . 12.4 m-70 54.48 -177.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 73.5 mt-30 45.91 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 23.7 m95 80.12 -9.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' CA ' ' A' ' 12' ' ' HIS . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 25' ' ' LYS . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CA ' HG21 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ILE . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 28' ' ' PHE . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 81' ' ' LYS . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 81' ' ' LYS . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.42 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 77' ' ' ASP . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.42 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 39.7 tp60 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.577 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' N ' HG21 ' A' ' 89' ' ' ILE . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.465 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 -43.21 116.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.07 25.2 29.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.4 p -104.91 -53.91 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 32.5 m -96.26 -89.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.455 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.89 46.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.403 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 2.9 ptp85 -150.44 -174.23 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -99.64 141.58 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 62.7 m-70 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.42 HG21 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.52 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 135' ' ' ALA . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.577 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.455 ' CB ' HG23 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 148' ' ' GLN . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -77.73 -36.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -91.74 -57.5 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 pt20 -115.31 120.98 41.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -56.9 151.21 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.09 129.19 55.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.04 119.3 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -95.8 -145.17 18.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.36 12.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 t -132.86 -60.71 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.65 106.88 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -99.49 170.6 8.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.17 91.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 -172.23 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -148.19 -58.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.58 166.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 58.99 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.1 134.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.09 92.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -132.51 149.09 72.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -178.95 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' O ' ' CG2' ' A' ' 16' ' ' THR . 5.1 mm-40 73.78 -57.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.49 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 28.0 m95 -86.56 -55.29 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 107.971 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 24' ' ' GLY . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.54 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 40' ' ' GLU . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' A' ' 36' ' ' VAL . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG23 ' CG ' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.54 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG21 ' CB ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 81' ' ' LYS . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' CG ' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.426 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' ASP . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.416 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 88' ' ' THR . 37.3 tp60 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.413 ' CG2' ' SG ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.8 m-20 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' HA ' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.507 ' CE1' HG13 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 109' ' ' CYS . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.417 ' N ' HG23 ' A' ' 108' ' ' ILE . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -42.23 120.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.65 40.66 2.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.9 p -133.5 -46.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.775 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.415 HG21 ' NH1' ' A' ' 116' ' ' ARG . 2.5 m -100.27 -9.09 22.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 70.78 50.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.415 ' NH1' HG21 ' A' ' 114' ' ' THR . 3.6 ptp85 -147.44 -170.28 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -105.01 131.38 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 107.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 82.3 m-70 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.409 ' CB ' HD11 ' A' ' 33' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.505 ' HG2' ' CD1' ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 9.7 t-160 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' HIS . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.413 ' SG ' ' CG2' ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.509 HD21 ' CE ' ' A' ' 147' ' ' LYS . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 6.1 ptt85 -92.98 -25.78 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.509 ' CE ' HD21 ' A' ' 144' ' ' LEU . 2.2 pttp -101.02 -51.92 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 3.0 mt-30 -55.7 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -93.54 170.03 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.19 167.3 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.9 m 63.63 148.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -175.27 176.85 47.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -132.47 -56.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.04 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.83 -58.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 62.84 167.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.5 85.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -158.43 122.83 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -66.46 141.8 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 108.17 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.34 100.04 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -174.9 90.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -163.86 164.9 14.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.3 Cg_endo -75.01 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -94.52 116.85 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 175.98 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 -135.45 -50.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.023 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 139' ' ' ALA . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.415 ' CG2' ' HG3' ' A' ' 25' ' ' LYS . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.569 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 64' ' ' ALA . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 121' ' ' CYS . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.552 ' CG1' ' CD2' ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' ILE . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 101' ' ' PHE . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG23 ' CG ' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 28' ' ' PHE . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' LYS . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 34.3 tp60 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.402 ' CB ' ' HE1' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.429 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -43.3 113.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.24 34.9 3.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.9 t -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.6 m -92.4 -98.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.32 40.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 37' ' ' GLU . 2.4 ptp85 -145.85 -171.46 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 -107.39 137.65 45.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.1 m-70 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.448 ' O ' ' CD1' ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t-80 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.425 ' HB3' ' CG2' ' A' ' 21' ' ' VAL . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.448 ' O ' ' CD ' ' A' ' 147' ' ' LYS . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 147' ' ' LYS . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER -37.08 -43.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.457 ' HE2' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -84.43 -57.97 2.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.92 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.66 164.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.64 147.05 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -45.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -113.75 -86.14 1.44 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.571 1.827 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.6 p -143.75 -56.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.1 t -167.27 -56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -168.75 162.88 11.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -159.99 142.78 13.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 133.3 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.47 109.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -155.27 157.2 36.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.31 136.67 3.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.38 118.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -142.4 159.49 57.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.02 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.61 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -142.54 -54.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 18.4 m95 -94.08 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' C ' HG13 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' ALA . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.528 ' CG1' HD22 ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' A' ' 46' ' ' ILE . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD11 ' CD2' ' A' ' 45' ' ' HIS . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.528 HD22 ' CG1' ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 HG22 ' CE1' ' A' ' 28' ' ' PHE . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LYS . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.455 ' HA ' ' CG1' ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.482 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' CG1' ' HB2' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.449 ' CG2' ' CD ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 90' ' ' GLU . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 89' ' ' ILE . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' CD ' ' CG2' ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.469 ' CB ' ' HE2' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.54 ' CE1' HG13 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.525 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.97 145.81 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.02 93.16 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -178.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.4 m -92.85 -5.07 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.04 52.31 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.511 ' CZ ' HD13 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -163.23 -175.43 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 -114.71 147.17 40.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 107.989 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.56 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.469 ' HE2' ' CB ' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 15.1 t-80 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.54 HG13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' HIS . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.469 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 147' ' ' LYS . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -36.01 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.4 mtpt -86.83 -57.59 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -106.14 -179.98 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -118.91 126.97 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.29 162.05 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.7 p -145.36 144.34 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 109.5 85.43 1.66 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.15 8.96 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 79.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 23' ' ' THR . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.595 HG23 ' HG3' ' A' ' 22' ' ' ARG . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.017 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.653 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 132' ' ' LEU . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.487 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG12 HD12 ' A' ' 84' ' ' ILE . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.017 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.719 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' HG23 ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 41' ' ' SER . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 24.0 m80 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.499 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.846 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.467 HG23 ' CA ' ' A' ' 30' ' ' VAL . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 132' ' ' LEU . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.773 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.0 t60 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.478 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 132' ' ' LEU . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.468 ' HB3' HG11 ' A' ' 21' ' ' VAL . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 144' ' ' LEU . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.693 HG21 ' HE2' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.693 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.671 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' A' ' 123' ' ' MET . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.773 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HE2' ' A' ' 55' ' ' LYS . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.773 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 21' ' ' VAL . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' HA ' HD11 ' A' ' 84' ' ' ILE . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 41' ' ' SER . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 41.8 m80 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.429 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.746 HG22 ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.746 ' NE ' HG22 ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 124' ' ' ALA . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB3' HG11 ' A' ' 21' ' ' VAL . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 23' ' ' THR . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 19' ' ' GLU . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.948 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 121' ' ' CYS . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.453 HG13 HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' SG ' ' A' ' 121' ' ' CYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 59' ' ' LYS . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' HG21 ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.651 HG11 ' C ' ' A' ' 135' ' ' ALA . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD21 HG23 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 HD12 ' A' ' 84' ' ' ILE . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.668 ' HA ' HD11 ' A' ' 84' ' ' ILE . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HD2' ' HZ2' ' A' ' 55' ' ' LYS . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.588 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 118' ' ' ILE . 1.4 m80 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.931 ' SG ' HG22 ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.412 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 124' ' ' ALA . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.782 HG23 HD21 ' A' ' 73' ' ' LEU . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.608 ' HB3' HG11 ' A' ' 21' ' ' VAL . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.534 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.487 ' CB ' HG21 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' THR . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 69' ' ' SER . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' HG23 ' A' ' 23' ' ' THR . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.789 ' CG1' HD21 ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 41' ' ' SER . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.592 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG12 ' HD3' ' A' ' 55' ' ' LYS . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD21 ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 59' ' ' LYS . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.774 ' H ' HG23 ' A' ' 57' ' ' THR . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 1.005 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 78' ' ' GLU . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 21' ' ' VAL . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 84' ' ' ILE . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.641 ' HA ' HD11 ' A' ' 84' ' ' ILE . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.553 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.549 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.526 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE2' HG22 ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.489 ' HG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 35' ' ' HIS . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 52.8 m80 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.611 HG23 ' CA ' ' A' ' 30' ' ' VAL . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.507 ' OD2' HD12 ' A' ' 132' ' ' LEU . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.507 HD12 ' OD2' ' A' ' 127' ' ' ASP . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 132' ' ' LEU . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.526 ' CB ' HG21 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 23' ' ' THR . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG12 ' C ' ' A' ' 18' ' ' GLU . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.964 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 123' ' ' MET . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.725 ' CG1' HD21 ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.743 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.633 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' HG3' ' A' ' 55' ' ' LYS . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.725 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 51' ' ' VAL . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 73' ' ' LEU . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.583 HG12 HD12 ' A' ' 84' ' ' ILE . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.631 ' HA ' HD11 ' A' ' 84' ' ' ILE . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' C ' HG13 ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 77' ' ' ASP . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' H ' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 132' ' ' LEU . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 41' ' ' SER . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 75.6 m80 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.665 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.46 HG23 ' CA ' ' A' ' 30' ' ' VAL . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 105' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.417 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 73' ' ' LEU . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.511 ' HB3' HG11 ' A' ' 21' ' ' VAL . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.547 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' THR . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 123' ' ' MET . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' CG1' HD21 ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.718 HG12 ' HD3' ' A' ' 55' ' ' LYS . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB3' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.614 HD21 ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.718 ' HD3' HG12 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 54' ' ' LEU . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.835 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.032 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 30' ' ' VAL . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.549 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 84' ' ' ILE . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.032 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HA ' HD11 ' A' ' 84' ' ' ILE . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 82' ' ' ASP . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.571 ' C ' HG13 ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.486 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 4.4 tp-100 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.425 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.894 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.456 HG12 HG11 ' A' ' 38' ' ' VAL . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.486 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 35' ' ' HIS . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 24.4 m80 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.579 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.414 HG22 ' HD2' ' A' ' 31' ' ' LYS . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 132' ' ' LEU . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 73' ' ' LEU . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.96 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 23' ' ' THR . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.96 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.583 ' HG3' HG23 ' A' ' 23' ' ' THR . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 22' ' ' ARG . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.661 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.742 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG13 ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.677 ' C ' HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 108' ' ' ILE . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.711 HG23 ' HG2' ' A' ' 78' ' ' GLU . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 67' ' ' TRP . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.567 ' N ' HD12 ' A' ' 66' ' ' LEU . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.661 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.466 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 84' ' ' ILE . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.033 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.711 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.593 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.748 HD11 ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.748 ' O ' HD11 ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HG2' HG23 ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.907 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' ARG . 1.3 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.656 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 106' ' ' SER . 59.4 m80 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 30' ' ' VAL . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.545 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.488 ' CB ' HG21 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 144' ' ' LEU . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.765 ' O ' HG22 ' A' ' 23' ' ' THR . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 19' ' ' GLU . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.788 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 61' ' ' ALA . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 121' ' ' CYS . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 78' ' ' GLU . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.991 HG11 ' HB1' ' A' ' 135' ' ' ALA . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 88' ' ' THR . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD21 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 84' ' ' ILE . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HE2' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.653 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' A' ' 47' ' ' CYS . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.935 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 51' ' ' VAL . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.469 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.935 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 31' ' ' LYS . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 131' ' ' ARG . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.465 ' HD3' HG22 ' A' ' 128' ' ' THR . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HA2' ' A' ' 129' ' ' GLY . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 85.8 t60 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.991 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.641 ' CG1' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.619 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.542 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' THR . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 18' ' ' GLU . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 22' ' ' ARG . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.572 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.711 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.749 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' ALA . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.749 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.808 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.016 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.667 HG23 ' HG2' ' A' ' 78' ' ' GLU . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 135' ' ' ALA . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.016 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.645 ' HA ' HD11 ' A' ' 84' ' ' ILE . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.587 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.912 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' PHE . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.612 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.711 HG23 ' CA ' ' A' ' 30' ' ' VAL . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.561 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.454 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.587 ' CB ' HG21 ' A' ' 89' ' ' ILE . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.625 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 15.4 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 22' ' ' ARG . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.852 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 61' ' ' ALA . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.826 ' CD ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 108' ' ' ILE . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.826 HD12 ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 54' ' ' LEU . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.852 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.962 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 84' ' ' ILE . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.962 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.509 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 HG22 ' A' ' 84' ' ' ILE . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.623 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.836 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 122' ' ' PHE . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.566 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 28.1 m80 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.836 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.511 HG23 ' CA ' ' A' ' 30' ' ' VAL . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.41 HG22 ' NH1' ' A' ' 131' ' ' ARG . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.625 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 68.4 t60 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.7 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 144' ' ' LEU . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.556 ' O ' ' CE1' ' A' ' 134' ' ' HIS . 6.9 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.736 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 24' ' ' GLY . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.693 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG3' HD11 ' A' ' 46' ' ' ILE . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD11 ' HG3' ' A' ' 40' ' ' GLU . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.693 HD21 ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.887 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 84' ' ' ILE . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.0 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.661 ' HA ' HD11 ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.608 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.562 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG23 ' NE2' ' A' ' 87' ' ' GLN . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.893 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 122' ' ' PHE . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.748 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.893 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.534 HG23 ' CA ' ' A' ' 30' ' ' VAL . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.474 HG22 ' HD3' ' A' ' 131' ' ' ARG . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.474 ' HD3' HG22 ' A' ' 128' ' ' THR . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 133' ' ' SER . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.494 ' HB3' HG11 ' A' ' 21' ' ' VAL . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.415 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.471 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.562 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 144' ' ' LEU . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 23' ' ' THR . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' ' 23' ' ' THR . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 19' ' ' GLU . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 123' ' ' MET . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.648 ' CG1' HD21 ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 41' ' ' SER . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD21 ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 ' HG2' ' A' ' 78' ' ' GLU . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' ' 30' ' ' VAL . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' HG23 ' A' ' 21' ' ' VAL . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD3' HD22 ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 84' ' ' ILE . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.024 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.52 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' C ' HG13 ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.52 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 85' ' ' VAL . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.696 ' O ' HD11 ' A' ' 83' ' ' LEU . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.767 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.663 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.767 ' HE2' HG22 ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 47.0 m80 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.637 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.485 HG23 ' CA ' ' A' ' 30' ' ' VAL . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 132' ' ' LEU . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.663 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 144' ' ' LEU . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' C ' HG12 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.876 ' O ' HG22 ' A' ' 23' ' ' THR . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 19' ' ' GLU . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.754 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 61' ' ' ALA . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG13 HD21 ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.605 HD13 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 104' ' ' ALA . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD21 HG13 ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG23 ' HG2' ' A' ' 78' ' ' GLU . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.519 ' HD3' HD22 ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG12 HD12 ' A' ' 84' ' ' ILE . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.706 ' HA ' HD11 ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.724 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.62 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 85' ' ' VAL . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.678 ' O ' HD11 ' A' ' 83' ' ' LEU . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.59 ' HB1' ' HG2' ' A' ' 44' ' ' MET . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.936 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.662 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' HA ' ' A' ' 41' ' ' SER . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.568 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' SER . 33.4 m80 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.566 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.662 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 30' ' ' VAL . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 130' ' ' GLU . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.537 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.411 ' NH2' ' OD1' ' A' ' 127' ' ' ASP . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.489 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 23' ' ' THR . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.503 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.863 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.703 ' CG1' HD21 ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG12 ' HD3' ' A' ' 55' ' ' LYS . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.691 ' HD3' HG12 ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.863 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.02 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 78' ' ' GLU . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 30' ' ' VAL . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG11 ' C ' ' A' ' 135' ' ' ALA . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 84' ' ' ILE . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.02 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.592 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.819 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.834 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.596 HG21 ' HA ' ' A' ' 41' ' ' SER . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 57.9 m80 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.912 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 131' ' ' ARG . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.436 ' H ' HG23 ' A' ' 128' ' ' THR . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.669 ' O ' HG12 ' A' ' 136' ' ' VAL . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 68.8 t60 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.609 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.834 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.502 ' HB3' HG11 ' A' ' 21' ' ' VAL . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.4 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.592 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 144' ' ' LEU . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' C ' HG12 ' A' ' 21' ' ' VAL . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 23' ' ' THR . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 22' ' ' ARG . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' ALA . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.7 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 55' ' ' LYS . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.031 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.743 HG23 ' HG2' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.472 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 84' ' ' ILE . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.031 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.696 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.743 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.563 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 83' ' ' LEU . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.607 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.64 ' CE1' HG11 ' A' ' 136' ' ' VAL . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 30' ' ' VAL . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.619 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.538 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.5 t60 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.64 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.607 ' CB ' HG21 ' A' ' 89' ' ' ILE . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 21' ' ' VAL . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 139' ' ' ALA . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.509 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' HB1' ' A' ' 135' ' ' ALA . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.935 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 123' ' ' MET . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.695 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.098 HG11 HG23 ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.843 ' HB2' HG23 ' A' ' 46' ' ' ILE . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 55' ' ' LYS . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.695 HD21 ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 51' ' ' VAL . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.014 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' HG2' ' A' ' 78' ' ' GLU . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.559 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 84' ' ' ILE . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.014 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.729 ' HA ' HD11 ' A' ' 84' ' ' ILE . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.611 ' C ' HG13 ' A' ' 76' ' ' VAL . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 85' ' ' VAL . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.627 ' O ' HD11 ' A' ' 83' ' ' LEU . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG12 ' HE2' ' A' ' 140' ' ' PHE . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.876 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.098 HG23 HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' HG12 ' A' ' 38' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 37.7 m80 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.521 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.57 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.876 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.462 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 132' ' ' LEU . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 66.2 t60 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HB1' ' SG ' ' A' ' 26' ' ' CYS . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.559 HG23 HD21 ' A' ' 73' ' ' LEU . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.651 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.535 ' CB ' HG21 ' A' ' 89' ' ' ILE . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' HA ' ' NE2' ' A' ' 134' ' ' HIS . 23.7 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' THR . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.817 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' ALA . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG1' HD21 ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HE2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 135' ' ' ALA . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' THR . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HG12 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 84' ' ' ILE . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.952 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.6 ' HA ' HD11 ' A' ' 84' ' ' ILE . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.624 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 8.1 tp-100 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 41' ' ' SER . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 73.8 m80 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.427 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.659 HG12 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.664 ' HB3' HG11 ' A' ' 21' ' ' VAL . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.583 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.524 ' CB ' HG21 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 144' ' ' LEU . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 28.0 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 23' ' ' THR . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 138' ' ' CYS . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HG3' HG23 ' A' ' 23' ' ' THR . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 22' ' ' ARG . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 53' ' ' ARG . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.456 ' HA ' HG21 ' A' ' 38' ' ' VAL . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 97' ' ' PRO . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 121' ' ' CYS . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' HG2' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.541 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 ' C ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 84' ' ' ILE . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' HA ' HD11 ' A' ' 84' ' ' ILE . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 88' ' ' THR . 4.1 tp-100 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.671 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.485 ' CE1' HG11 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 35' ' ' HIS . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' HG13 ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 78.0 m80 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 54' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.978 ' HG2' HD11 ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 31' ' ' LYS . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 24.1 t60 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.7 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 21' ' ' VAL . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.503 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.671 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 19' ' ' GLU . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.785 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.793 ' CG1' HD21 ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.644 ' OE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.682 ' O ' HG21 ' A' ' 108' ' ' ILE . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.644 HG21 ' OE2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.662 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 55' ' ' LYS . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.793 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.785 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' C ' ' A' ' 135' ' ' ALA . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG12 HD12 ' A' ' 84' ' ' ILE . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 84' ' ' ILE . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 87' ' ' GLN . 6.4 tp-100 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.44 ' OD2' HG21 ' A' ' 51' ' ' VAL . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.902 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.837 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.682 HG21 ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.6 m80 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.837 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.902 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.498 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 128' ' ' THR . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.473 ' HA ' HG12 ' A' ' 136' ' ' VAL . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 84.9 t60 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG21 ' A' ' 89' ' ' ILE . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 144' ' ' LEU . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 18.4 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' C ' HG12 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 23' ' ' THR . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.602 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HD2' HG22 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' A' ' 123' ' ' MET . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG11 ' HG ' ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.799 HG11 HG23 ' A' ' 108' ' ' ILE . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.608 ' HA ' HG21 ' A' ' 108' ' ' ILE . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' HG ' HG11 ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' C ' ' A' ' 135' ' ' ALA . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 88' ' ' THR . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 84' ' ' ILE . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.989 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.734 ' HA ' HD11 ' A' ' 84' ' ' ILE . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.601 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.648 HD11 ' O ' ' A' ' 85' ' ' VAL . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.648 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.799 HG23 HG11 ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.561 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' SER . 50.3 m80 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.776 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.838 HG22 ' HD2' ' A' ' 31' ' ' LYS . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.436 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 124' ' ' ALA . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 62.3 t60 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.681 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.633 HG11 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' CYS . . . . . 0.631 ' CB ' HG21 ' A' ' 89' ' ' ILE . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 144' ' ' LEU . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.61 -56.67 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -178.32 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.99 168.84 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.97 168.22 20.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.3 105.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.38 150.8 21.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.16 162.96 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.98 161.61 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -150.84 156.54 35.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -64.16 172.72 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -125.6 -42.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 -104.32 -54.13 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 23' ' ' THR . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.595 HG23 ' HG3' ' A' ' 22' ' ' ARG . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.017 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.653 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 132' ' ' LEU . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.487 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG12 HD12 ' A' ' 84' ' ' ILE . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.017 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.719 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' HG23 ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 41' ' ' SER . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -42.76 155.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.94 38.61 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 p -142.87 -51.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.691 HG22 ' HG3' ' A' ' 115' ' ' ARG . 36.0 m -93.36 -103.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.691 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.3 OUTLIER -178.04 47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -142.8 -168.6 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 -105.46 140.19 38.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 24.0 m80 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.499 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.846 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.467 HG23 ' CA ' ' A' ' 30' ' ' VAL . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 132' ' ' LEU . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.773 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 60.0 t60 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 132' ' ' LEU . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.468 ' HB3' HG11 ' A' ' 21' ' ' VAL . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -44.51 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.5 mtmt -80.48 -57.34 3.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -62.5 -172.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 149.03 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.39 134.54 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 33.1 t -98.48 134.78 40.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 60.41 156.75 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.88 27.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.8 p -147.04 76.7 1.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 75.2 m -85.11 -59.72 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 59.85 85.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -68.73 150.26 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.05 172.74 1.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -59.39 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -165.63 108.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -114.87 4.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.36 110.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m 62.51 135.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.12 153.34 76.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 178.0 7.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 3.3 m170 -91.24 168.45 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 16' ' ' THR . 31.6 tt0 87.58 -39.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 -97.08 -56.57 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.693 HG21 ' HE2' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.693 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.671 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' A' ' 123' ' ' MET . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.773 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HE2' ' A' ' 55' ' ' LYS . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.773 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 21' ' ' VAL . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' HA ' HD11 ' A' ' 84' ' ' ILE . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 41' ' ' SER . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 -48.08 137.8 10.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.51 -27.54 7.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.2 m -107.55 -18.24 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 67.02 53.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.245 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.721 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.5 ptp85 -145.32 -170.07 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -98.08 113.06 24.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 116' ' ' ARG . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 41.8 m80 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.429 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.746 HG22 ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.746 ' NE ' HG22 ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 124' ' ' ALA . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB3' HG11 ' A' ' 21' ' ' VAL . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.715 HD22 ' CE ' ' A' ' 147' ' ' LYS . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -38.01 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.715 ' CE ' HD22 ' A' ' 144' ' ' LEU . 2.9 pttp -89.43 -50.79 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.474 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 1.6 pp0? -104.18 171.33 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.0 156.75 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -139.5 145.09 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -76.06 156.48 47.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 135.31 18.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.11 55.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.4 t 74.49 -58.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.01 146.43 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.74 -58.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.09 -141.8 8.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t 63.83 143.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 128.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.19 134.8 8.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 68.07 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -70.6 149.29 47.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.86 160.2 63.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.0 90.84 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -156.82 -67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 -84.44 -55.54 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.028 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 23' ' ' THR . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 19' ' ' GLU . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.948 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 121' ' ' CYS . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CD2' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.453 HG13 HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' SG ' ' A' ' 121' ' ' CYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 59' ' ' LYS . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' HG21 ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.651 HG11 ' C ' ' A' ' 135' ' ' ALA . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD21 HG23 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 HD12 ' A' ' 84' ' ' ILE . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.668 ' HA ' HD11 ' A' ' 84' ' ' ILE . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HD2' ' HZ2' ' A' ' 55' ' ' LYS . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.588 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.3 157.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.83 -40.23 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.7 p -57.56 -50.83 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.445 HG21 ' HD2' ' A' ' 116' ' ' ARG . 20.8 m -88.3 -17.39 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.96 49.27 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 37' ' ' GLU . 9.9 ptm180 -149.03 -166.08 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -97.51 134.51 40.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.003 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 118' ' ' ILE . 1.4 m80 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.931 ' SG ' HG22 ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.412 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 124' ' ' ALA . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.782 HG23 HD21 ' A' ' 73' ' ' LEU . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.608 ' HB3' HG11 ' A' ' 21' ' ' VAL . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.534 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.487 ' CB ' HG21 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 147' ' ' LYS . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.42 64.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 mtmt -87.26 -57.29 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -104.56 -177.48 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 157.45 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.98 111.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.1 p -118.06 96.52 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -138.6 156.97 24.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.18 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.37 75.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -60.18 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 104.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -152.14 158.13 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 -94.31 2.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.78 108.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.97 138.21 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.43 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 162.57 39.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -120.3 51.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -70.77 152.52 95.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.97 85.76 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 16' ' ' THR . 9.0 mt-30 -155.9 -67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 -92.45 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 13' ' ' GLN . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' THR . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 69' ' ' SER . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' HG23 ' A' ' 23' ' ' THR . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.789 ' CG1' HD21 ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 41' ' ' SER . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.592 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG12 ' HD3' ' A' ' 55' ' ' LYS . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD21 ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 59' ' ' LYS . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.774 ' H ' HG23 ' A' ' 57' ' ' THR . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 1.005 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 78' ' ' GLU . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 21' ' ' VAL . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 84' ' ' ILE . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.641 ' HA ' HD11 ' A' ' 84' ' ' ILE . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.553 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.549 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.526 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE2' HG22 ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.489 ' HG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 -40.31 121.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.57 77.7 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 114' ' ' THR . 0.3 OUTLIER -174.44 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 110.403 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.649 ' H ' HG23 ' A' ' 113' ' ' THR . 3.7 m -84.46 -10.43 57.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 58.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.51 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.0 ptp85 -154.19 -178.19 6.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -98.38 132.8 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.51 HD11 ' HD2' ' A' ' 116' ' ' ARG . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 52.8 m80 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.611 HG23 ' CA ' ' A' ' 30' ' ' VAL . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.507 ' OD2' HD12 ' A' ' 132' ' ' LEU . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.507 HD12 ' OD2' ' A' ' 127' ' ' ASP . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 132' ' ' LEU . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.526 ' CB ' HG21 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 147' ' ' LYS . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.76 -36.96 65.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -86.73 -57.1 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -107.4 -178.25 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -108.77 146.75 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -92.62 143.98 25.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 43.8 t 179.91 170.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 93.64 101.7 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 179.74 5.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -140.6 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.8 p -161.42 -57.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.52 115.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -124.3 170.34 10.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 151.79 20.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.87 94.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -142.35 96.92 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.33 101.26 0.41 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.32 127.31 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 m -64.02 163.17 12.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -145.75 160.95 42.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.8 m170 58.44 162.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' C ' HG22 ' A' ' 16' ' ' THR . 11.0 tp60 -122.49 -53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 -95.04 -49.88 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 23' ' ' THR . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG12 ' C ' ' A' ' 18' ' ' GLU . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.964 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 123' ' ' MET . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.725 ' CG1' HD21 ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.743 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.633 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' HG3' ' A' ' 55' ' ' LYS . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.725 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 51' ' ' VAL . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 73' ' ' LEU . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.583 HG12 HD12 ' A' ' 84' ' ' ILE . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.631 ' HA ' HD11 ' A' ' 84' ' ' ILE . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' C ' HG13 ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 77' ' ' ASP . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' H ' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 132' ' ' LEU . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 41' ' ' SER . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 116' ' ' ARG . 10.0 t70 -49.64 155.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.06 -42.52 0.71 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 p -55.85 -50.27 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 116' ' ' ARG . 40.4 m -85.29 -23.47 28.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 72.61 51.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.715 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.1 ptp85 -156.1 -171.62 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -94.41 123.97 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.715 HD11 ' HD2' ' A' ' 116' ' ' ARG . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 75.6 m80 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.665 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.46 HG23 ' CA ' ' A' ' 30' ' ' VAL . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 105' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.417 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 73' ' ' LEU . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.511 ' HB3' HG11 ' A' ' 21' ' ' VAL . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.547 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.694 HD23 ' HE2' ' A' ' 147' ' ' LYS . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.694 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -92.39 -59.03 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -98.76 179.15 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -131.52 167.8 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.01 91.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 11.1 p -105.53 99.87 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -103.07 158.97 17.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.77 17.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.9 m -132.84 -55.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.3 m -159.08 -60.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -58.51 5.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.14 128.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.4 119.06 1.0 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -65.84 131.78 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -114.54 162.36 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 -116.62 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.11 112.47 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -146.33 161.53 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -135.74 149.08 67.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 16' ' ' THR . 4.4 t-80 -175.25 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -89.09 -37.29 15.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 -100.47 -41.71 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' HIS . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' THR . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 123' ' ' MET . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' CG1' HD21 ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.718 HG12 ' HD3' ' A' ' 55' ' ' LYS . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB3' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.614 HD21 ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.718 ' HD3' HG12 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 54' ' ' LEU . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.835 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.032 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 30' ' ' VAL . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.549 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 84' ' ' ILE . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.032 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HA ' HD11 ' A' ' 84' ' ' ILE . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 82' ' ' ASP . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.571 ' C ' HG13 ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.486 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 4.4 tp-100 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.894 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.456 HG12 HG11 ' A' ' 38' ' ' VAL . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.486 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' ARG . 9.5 t70 -45.96 154.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.37 -46.08 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -47.98 -36.77 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.1 m -110.89 -17.49 13.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 63.49 59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.626 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.1 ptp85 -150.22 -169.95 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -97.94 118.23 34.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.626 HD11 ' HD2' ' A' ' 116' ' ' ARG . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 24.4 m80 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.579 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.414 HG22 ' HD2' ' A' ' 31' ' ' LYS . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 132' ' ' LEU . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 73' ' ' LEU . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.61 HD23 ' CE ' ' A' ' 147' ' ' LYS . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.6 ptm180 -95.12 -25.7 16.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.61 ' CE ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -97.5 -51.37 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 9.7 mt-30 -64.2 -169.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.66 151.94 48.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -56.48 140.87 44.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.3 t -174.81 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.87 107.94 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.52 6.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -157.13 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 -57.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -136.76 108.94 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.55 165.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.71 126.87 3.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 129.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -161.63 169.69 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 158.66 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.35 154.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.0 132.78 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.81 145.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.55 167.33 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.591 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -113.7 -26.28 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 -97.9 -70.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.96 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 23' ' ' THR . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.96 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.583 ' HG3' HG23 ' A' ' 23' ' ' THR . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 22' ' ' ARG . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.661 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.742 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG13 ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.677 ' C ' HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 108' ' ' ILE . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.711 HG23 ' HG2' ' A' ' 78' ' ' GLU . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 67' ' ' TRP . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.567 ' N ' HD12 ' A' ' 66' ' ' LEU . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.661 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.466 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 84' ' ' ILE . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.033 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.711 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.593 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.748 HD11 ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.748 ' O ' HD11 ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HG2' HG23 ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.907 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.431 ' OD2' ' CG2' ' A' ' 113' ' ' THR . 1.3 t0 -39.81 113.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.12 48.55 2.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 114' ' ' THR . 0.2 OUTLIER -136.44 -61.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.391 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' HG3' ' A' ' 115' ' ' ARG . 53.1 m -81.93 -89.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.689 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER 167.91 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 4.3 ptp85 -152.19 -178.31 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -99.14 146.22 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.656 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 106' ' ' SER . 59.4 m80 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 30' ' ' VAL . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.545 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.488 ' CB ' HG21 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 147' ' ' LYS . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -35.71 55.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -86.24 -56.92 3.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 pt20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.19 148.34 30.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -106.65 130.0 54.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.8 t -120.14 157.44 29.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.69 98.99 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.73 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 m -159.0 -57.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.78 82.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.99 166.59 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 120.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -74.85 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -40.95 -57.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.03 117.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.89 89.28 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.46 119.3 24.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.76 101.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 154.66 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.452 ' CB ' ' HB ' ' A' ' 16' ' ' THR . 35.3 m170 65.7 139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.557 ' C ' HG22 ' A' ' 16' ' ' THR . 27.2 mm-40 -114.09 -52.43 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 -96.33 -57.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.765 ' O ' HG22 ' A' ' 23' ' ' THR . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 19' ' ' GLU . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.788 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 61' ' ' ALA . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 121' ' ' CYS . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 78' ' ' GLU . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.991 HG11 ' HB1' ' A' ' 135' ' ' ALA . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 88' ' ' THR . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD21 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 84' ' ' ILE . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HE2' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.653 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' A' ' 47' ' ' CYS . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.935 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -44.46 128.75 6.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.68 1.6 66.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 p -98.66 -43.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.1 m -95.58 -19.61 19.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.458 ' HD2' HD11 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -148.65 -175.04 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.71 120.61 34.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.458 HD11 ' HD2' ' A' ' 116' ' ' ARG . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 51' ' ' VAL . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.469 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.935 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 31' ' ' LYS . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 131' ' ' ARG . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.465 ' HD3' HG22 ' A' ' 128' ' ' THR . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HA2' ' A' ' 129' ' ' GLY . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 85.8 t60 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.991 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.641 ' CG1' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.619 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 148' ' ' GLN . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -29.08 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.487 ' HE3' HD23 ' A' ' 144' ' ' LEU . 38.8 mtmt -87.24 -59.05 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.555 ' CG ' HD22 ' A' ' 144' ' ' LEU . 3.5 mt-30 -57.74 147.11 28.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 148' ' ' GLN . 21.6 mtmt -40.62 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -40.79 141.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 16.0 m -169.92 73.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.63 158.95 25.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.422 ' O ' ' NH1' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -123.25 -65.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.0 t -172.08 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -143.01 132.45 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 157.59 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.76 146.71 11.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.31 103.42 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m 56.41 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.9 169.2 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -104.29 146.63 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -177.58 155.11 1.08 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.48 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 57.4 m170 -76.91 179.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.616 ' C ' HG22 ' A' ' 16' ' ' THR . 16.2 mm-40 80.82 -49.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 -91.75 -62.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.616 HG22 ' C ' ' A' ' 13' ' ' GLN . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.542 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' THR . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 18' ' ' GLU . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 22' ' ' ARG . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.572 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.711 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.749 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' ALA . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.749 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.808 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.016 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.667 HG23 ' HG2' ' A' ' 78' ' ' GLU . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 135' ' ' ALA . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.016 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.645 ' HA ' HD11 ' A' ' 84' ' ' ILE . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.587 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.912 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' PHE . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -43.62 147.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.04 67.94 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 114' ' ' THR . 1.4 t -178.65 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.547 ' H ' HG23 ' A' ' 113' ' ' THR . 18.2 m -68.27 -14.68 63.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.09 41.37 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.465 ' HD2' ' CG2' ' A' ' 114' ' ' THR . 9.8 ptm180 -153.25 -172.26 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -92.01 136.8 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.612 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.711 HG23 ' CA ' ' A' ' 30' ' ' VAL . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.561 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.454 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.587 ' CB ' HG21 ' A' ' 89' ' ' ILE . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.484 HD22 ' HD2' ' A' ' 147' ' ' LYS . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -86.03 -34.32 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.484 ' HD2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -89.86 -51.01 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 6.2 pt20 -109.16 172.78 6.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -110.42 142.2 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 161.61 27.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.27 117.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 172.49 173.81 39.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 177.63 8.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.4 p -148.19 -55.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 61.4 p -155.22 105.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -163.52 169.48 18.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 0.802 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -108.43 -59.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.52 108.14 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 62.12 154.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 -56.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.67 -141.55 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.53 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -98.01 75.79 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.07 157.69 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 60.86 178.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.601 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.608 ' C ' HG22 ' A' ' 16' ' ' THR . 38.0 mm-40 -139.1 -52.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 15.4 m95 -92.78 -63.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 3.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.608 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 22' ' ' ARG . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.852 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 61' ' ' ALA . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.826 ' CD ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 108' ' ' ILE . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.826 HD12 ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 54' ' ' LEU . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.852 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.962 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 84' ' ' ILE . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.962 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.509 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 HG22 ' A' ' 84' ' ' ILE . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.623 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.836 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 122' ' ' PHE . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 -39.46 150.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.37 43.87 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -144.63 -45.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -113.85 -133.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.56 26.98 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -110.51 -168.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 -115.48 165.59 12.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.566 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 28.1 m80 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.836 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.511 HG23 ' CA ' ' A' ' 30' ' ' VAL . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.41 HG22 ' NH1' ' A' ' 131' ' ' ARG . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.625 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 68.4 t60 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.7 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -49.39 -43.54 44.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -81.76 -57.08 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.74 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -91.25 -177.45 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -71.86 153.89 41.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.54 152.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -124.45 154.57 17.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -176.08 2.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 156' ' ' GLY . 3.3 t -126.25 -54.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 3.4 t 68.31 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -163.89 168.65 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -139.83 169.28 18.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.84 127.95 5.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -176.19 172.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -63.15 157.15 23.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.97 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.39 113.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.33 178.3 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.55 35.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 172.64 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.619 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 54.6 mt-30 -70.65 93.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 6.9 m0 87.65 -24.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.035 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.736 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 24' ' ' GLY . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.693 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG3' HD11 ' A' ' 46' ' ' ILE . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD11 ' HG3' ' A' ' 40' ' ' GLU . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.693 HD21 ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.887 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 84' ' ' ILE . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.0 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.661 ' HA ' HD11 ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.608 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.562 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG23 ' NE2' ' A' ' 87' ' ' GLN . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.893 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 122' ' ' PHE . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -47.88 153.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.25 -71.11 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.2 p -42.79 -38.3 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 116' ' ' ARG . 90.6 m -79.18 -40.3 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 114' ' ' THR . 3.3 mtp180 82.36 44.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 114' ' ' THR . 2.1 ptp85 -158.65 -178.91 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -91.26 130.61 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 116' ' ' ARG . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.748 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.893 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.534 HG23 ' CA ' ' A' ' 30' ' ' VAL . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.474 HG22 ' HD3' ' A' ' 131' ' ' ARG . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.474 ' HD3' HG22 ' A' ' 128' ' ' THR . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 133' ' ' SER . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.494 ' HB3' HG11 ' A' ' 21' ' ' VAL . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.415 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.471 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.562 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 147' ' ' LYS . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -32.36 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 144' ' ' LEU . 8.3 mtpt -85.02 -57.69 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.7 OUTLIER -112.3 -175.81 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 138.5 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.88 160.67 29.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.94 160.73 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -55.37 146.53 29.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -59.13 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.6 t -174.89 108.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.45 157.63 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.7 -59.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 135.31 3.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -147.05 162.3 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.008 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.34 148.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.62 169.18 26.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 72.86 117.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 125.25 37.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -114.69 152.74 46.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.02 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 11.0 m-70 -79.69 127.19 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.576 ' H ' HG22 ' A' ' 16' ' ' THR . 9.0 mt-30 160.32 -62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 -88.87 -62.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 13' ' ' GLN . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 23' ' ' THR . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' ' 23' ' ' THR . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 19' ' ' GLU . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' O ' ' CD ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 123' ' ' MET . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.648 ' CG1' HD21 ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 41' ' ' SER . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD21 ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 ' HG2' ' A' ' 78' ' ' GLU . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' ' 30' ' ' VAL . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' HG23 ' A' ' 21' ' ' VAL . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD3' HD22 ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 84' ' ' ILE . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.024 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.52 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' C ' HG13 ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.52 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 85' ' ' VAL . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.696 ' O ' HD11 ' A' ' 83' ' ' LEU . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.767 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.663 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.767 ' HE2' HG22 ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 -47.69 161.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.33 -51.3 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 114' ' ' THR . 8.1 t -50.3 -54.01 24.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 113' ' ' THR . 38.9 m -98.23 9.0 44.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 114' ' ' THR . 4.5 ptm180 34.14 38.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.516 ' NH1' HG21 ' A' ' 114' ' ' THR . 1.2 ptp85 -116.02 -169.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -96.57 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 47.0 m80 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.637 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.485 HG23 ' CA ' ' A' ' 30' ' ' VAL . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 132' ' ' LEU . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.663 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 147' ' ' LYS . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.28 -37.89 71.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.9 mtmt -87.82 -57.19 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pt20 -104.75 172.09 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -137.32 55.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' HB2' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -92.7 151.58 19.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -81.48 -54.71 5.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 151' ' ' SER . . . 37.36 84.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 79.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -58.2 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -112.91 91.9 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -169.85 169.18 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 121.56 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -130.3 169.47 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 144.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.48 140.12 3.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.17 170.89 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -145.52 80.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -131.98 150.27 75.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 43.6 m80 -73.84 173.7 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 16' ' ' THR . 0.4 OUTLIER 82.07 -49.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 -92.24 -56.85 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 107.949 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 13' ' ' GLN . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' C ' HG12 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.876 ' O ' HG22 ' A' ' 23' ' ' THR . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 19' ' ' GLU . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.754 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 61' ' ' ALA . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG13 HD21 ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.605 HD13 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 104' ' ' ALA . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD21 HG13 ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG23 ' HG2' ' A' ' 78' ' ' GLU . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' HD3' HD22 ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG12 HD12 ' A' ' 84' ' ' ILE . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.706 ' HA ' HD11 ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.724 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.62 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 85' ' ' VAL . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.678 ' O ' HD11 ' A' ' 83' ' ' LEU . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.59 ' HB1' ' HG2' ' A' ' 44' ' ' MET . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.936 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.662 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' HA ' ' A' ' 41' ' ' SER . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.92 147.57 6.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 -33.08 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 p -66.55 -37.97 86.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.502 HG22 ' HG2' ' A' ' 116' ' ' ARG . 50.2 m -99.02 -27.78 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 114' ' ' THR . 0.0 OUTLIER 78.13 45.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.772 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.4 ptp85 -155.76 170.63 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -80.89 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.014 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 ' HD2' ' A' ' 116' ' ' ARG . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.568 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' SER . 33.4 m80 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.566 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.662 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 30' ' ' VAL . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 130' ' ' GLU . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.537 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 13' ' ' GLN . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.489 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.767 HD22 ' HE2' ' A' ' 147' ' ' LYS . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -83.71 -25.25 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.767 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -100.2 -45.25 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.442 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 0.9 OUTLIER -109.52 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.92 173.69 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -117.0 134.44 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.26 96.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.9 113.85 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.2 13.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 79.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 97.3 p -106.71 80.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.69 146.39 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -142.05 -80.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -50.14 155.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER 163.99 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.04 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 155' ' ' SER . 0.1 OUTLIER -63.11 128.88 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.89 -96.2 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.72 152.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 71.1 m -147.13 73.87 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 56.05 163.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 177.14 -166.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -109.1 -36.14 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 -111.4 -47.62 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 23' ' ' THR . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.863 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.703 ' CG1' HD21 ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG12 ' HD3' ' A' ' 55' ' ' LYS . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.691 ' HD3' HG12 ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.863 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.02 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 78' ' ' GLU . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 30' ' ' VAL . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG11 ' C ' ' A' ' 135' ' ' ALA . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 84' ' ' ILE . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.02 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.592 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.819 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.834 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.596 HG21 ' HA ' ' A' ' 41' ' ' SER . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 154.53 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.37 -9.59 23.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -97.2 -51.53 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 116' ' ' ARG . 37.0 m -71.86 -23.07 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.08 38.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 114' ' ' THR . 9.6 ptm180 -152.27 -170.72 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -91.18 130.74 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 57.9 m80 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.912 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 131' ' ' ARG . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.436 ' H ' HG23 ' A' ' 128' ' ' THR . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.669 ' O ' HG12 ' A' ' 136' ' ' VAL . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 68.8 t60 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.609 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.834 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.502 ' HB3' HG11 ' A' ' 21' ' ' VAL . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.4 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.592 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 148' ' ' GLN . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 3.4 ptm180 -95.84 -26.29 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 146' ' ' ARG . 30.3 mtmt -89.0 -57.25 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 144' ' ' LEU . 7.0 mt-30 -56.77 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -131.6 115.61 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -54.61 149.69 10.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 150' ' ' ARG . 0.4 OUTLIER 163.62 112.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -83.85 120.23 5.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.26 14.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.5 p -173.07 76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.1 t -42.63 -55.46 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -56.2 166.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -131.42 -60.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 -142.56 13.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -78.86 171.95 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.19 174.93 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -164.62 39.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.19 106.31 11.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -172.7 161.6 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 55.58 165.13 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -111.57 -165.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.526 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER 87.88 -18.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 -106.7 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' HH21 ' A' ' 10' ' ' ARG . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' C ' HG12 ' A' ' 21' ' ' VAL . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 23' ' ' THR . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 22' ' ' ARG . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' ALA . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.7 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 55' ' ' LYS . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.031 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.743 HG23 ' HG2' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.472 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 84' ' ' ILE . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.031 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.696 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.743 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 83' ' ' LEU . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.607 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.64 ' CE1' HG11 ' A' ' 136' ' ' VAL . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 112' ' ' GLY . 14.6 t0 -44.22 150.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 111' ' ' ASP . . . -112.99 -43.69 0.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -65.5 -45.13 84.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.764 HG22 ' HG2' ' A' ' 116' ' ' ARG . 54.8 m -81.37 -23.52 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 68.23 55.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.779 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.1 ptp85 -169.03 -179.22 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 -88.44 126.47 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.779 HD11 ' HD2' ' A' ' 116' ' ' ARG . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 30' ' ' VAL . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.619 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.538 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.5 t60 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.64 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.509 ' SG ' ' CD2' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.607 ' CB ' HG21 ' A' ' 89' ' ' ILE . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.009 HD23 ' HE2' ' A' ' 147' ' ' LYS . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 1.009 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -88.33 -59.87 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pp0? -100.21 175.88 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 124.37 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.43 172.38 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.68 166.93 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -133.79 88.35 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.13 70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.81 82.86 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.771 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.28 152.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.38 -173.5 12.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.4 136.37 53.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.12 -61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.99 168.59 14.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.01 68.88 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 130.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -170.12 155.35 5.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.97 166.38 29.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.36 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 16' ' ' THR . 0.1 OUTLIER -124.69 -40.53 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 -96.02 -66.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.056 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 13' ' ' GLN . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 21' ' ' VAL . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 139' ' ' ALA . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.509 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' HB1' ' A' ' 135' ' ' ALA . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.935 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 123' ' ' MET . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.695 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.098 HG11 HG23 ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.843 ' HB2' HG23 ' A' ' 46' ' ' ILE . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 55' ' ' LYS . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.695 HD21 ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 51' ' ' VAL . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.014 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' HG2' ' A' ' 78' ' ' GLU . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 84' ' ' ILE . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.014 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.729 ' HA ' HD11 ' A' ' 84' ' ' ILE . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.611 ' C ' HG13 ' A' ' 76' ' ' VAL . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 85' ' ' VAL . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.627 ' O ' HD11 ' A' ' 83' ' ' LEU . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG12 ' HE2' ' A' ' 140' ' ' PHE . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.876 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.098 HG23 HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ARG . 41.3 t0 -49.93 170.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.05 -45.48 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -50.71 -29.04 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.784 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.494 HG22 ' HG2' ' A' ' 116' ' ' ARG . 22.8 m -113.81 -16.63 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 63.77 57.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 114' ' ' THR . 1.6 ptp85 -160.05 -178.51 7.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -90.47 122.94 33.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' HG12 ' A' ' 38' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 37.7 m80 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.521 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.57 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.876 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.462 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 132' ' ' LEU . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 66.2 t60 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HB1' ' SG ' ' A' ' 26' ' ' CYS . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.559 HG23 HD21 ' A' ' 73' ' ' LEU . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.651 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.535 ' CB ' HG21 ' A' ' 89' ' ' ILE . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.5 ptm180 -95.22 -26.08 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 148' ' ' GLN . 0.1 OUTLIER -97.3 -50.45 4.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 8.7 mt-30 -61.12 -58.96 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 42.2 43.5 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.35 162.92 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -44.32 -51.73 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 151' ' ' SER . . . 40.12 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.22 40.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -156.26 79.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -58.27 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -142.34 88.36 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.97 142.52 34.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.94 132.24 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.23 137.2 36.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -61.06 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.25 5.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.03 86.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ARG . 95.4 p -177.89 153.29 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -38.29 155.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.59 34.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' CA ' ' HB3' ' A' ' 15' ' ' GLN . 12.4 m-70 54.48 -177.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 73.5 mt-30 45.91 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 23.7 m95 80.12 -9.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' CA ' ' A' ' 12' ' ' HIS . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' THR . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.817 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' ALA . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG1' HD21 ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HE2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 135' ' ' ALA . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' THR . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HG12 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 84' ' ' ILE . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.952 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.6 ' HA ' HD11 ' A' ' 84' ' ' ILE . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.624 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 8.1 tp-100 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 41' ' ' SER . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 -43.21 116.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.07 25.2 29.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.4 p -104.91 -53.91 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.768 HG22 ' HG3' ' A' ' 115' ' ' ARG . 32.5 m -96.26 -89.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.455 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.768 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER 172.89 46.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.312 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.403 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 2.9 ptp85 -150.44 -174.23 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -99.64 141.58 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 73.8 m80 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.427 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.659 HG12 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.664 ' HB3' HG11 ' A' ' 21' ' ' VAL . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.583 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.524 ' CB ' HG21 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 148' ' ' GLN . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -77.73 -36.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -91.74 -57.5 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 pt20 -115.31 120.98 41.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -56.9 151.21 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.09 129.19 55.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.04 119.3 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -95.8 -145.17 18.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.36 12.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 t -132.86 -60.71 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.65 106.88 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -99.49 170.6 8.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.17 91.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 -172.23 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -148.19 -58.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.58 166.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 58.99 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.1 134.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.09 92.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -132.51 149.09 72.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -178.95 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' O ' HG22 ' A' ' 16' ' ' THR . 5.1 mm-40 73.78 -57.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 28.0 m95 -86.56 -55.29 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 107.971 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 13' ' ' GLN . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 23' ' ' THR . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 138' ' ' CYS . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HG3' HG23 ' A' ' 23' ' ' THR . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 22' ' ' ARG . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 53' ' ' ARG . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' HA ' HG21 ' A' ' 38' ' ' VAL . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 97' ' ' PRO . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 121' ' ' CYS . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' HG2' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.541 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 ' C ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 84' ' ' ILE . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' HA ' HD11 ' A' ' 84' ' ' ILE . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 88' ' ' THR . 4.1 tp-100 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.671 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.485 ' CE1' HG11 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -42.23 120.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.65 40.66 2.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.9 p -133.5 -46.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.775 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.572 HG21 ' NH1' ' A' ' 116' ' ' ARG . 2.5 m -100.27 -9.09 22.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 70.78 50.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 118' ' ' ILE . 3.6 ptp85 -147.44 -170.28 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -105.01 131.38 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 107.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.582 HD11 ' HD2' ' A' ' 116' ' ' ARG . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' HG13 ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 78.0 m80 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 54' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.978 ' HG2' HD11 ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 31' ' ' LYS . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 24.1 t60 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.7 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 21' ' ' VAL . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.503 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.671 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.622 HD22 ' CE ' ' A' ' 147' ' ' LYS . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 6.1 ptt85 -92.98 -25.78 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.622 ' CE ' HD22 ' A' ' 144' ' ' LEU . 2.2 pttp -101.02 -51.92 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 3.0 mt-30 -55.7 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -93.54 170.03 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.19 167.3 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.9 m 63.63 148.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -175.27 176.85 47.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -132.47 -56.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.04 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.83 -58.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 62.84 167.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.5 85.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -158.43 122.83 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -66.46 141.8 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 108.17 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.34 100.04 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -174.9 90.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -163.86 164.9 14.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.3 Cg_endo -75.01 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -94.52 116.85 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 175.98 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 -135.45 -50.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.023 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 19' ' ' GLU . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.785 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.793 ' CG1' HD21 ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.644 ' OE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.682 ' O ' HG21 ' A' ' 108' ' ' ILE . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.644 HG21 ' OE2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.662 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 55' ' ' LYS . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.793 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.785 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' C ' ' A' ' 135' ' ' ALA . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG12 HD12 ' A' ' 84' ' ' ILE . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 84' ' ' ILE . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' A' ' 87' ' ' GLN . 6.4 tp-100 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.44 ' OD2' HG21 ' A' ' 51' ' ' VAL . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.902 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.837 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.682 HG21 ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' CG ' HG22 ' A' ' 113' ' ' THR . 2.2 t0 -43.3 113.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.24 34.9 3.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 114' ' ' THR . 5.9 t -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 115' ' ' ARG . 4.6 m -92.4 -98.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER -179.32 40.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 37' ' ' GLU . 2.4 ptp85 -145.85 -171.46 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 -107.39 137.65 45.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.6 m80 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.837 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.902 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.498 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 128' ' ' THR . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.473 ' HA ' HG12 ' A' ' 136' ' ' VAL . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 84.9 t60 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG21 ' A' ' 89' ' ' ILE . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 147' ' ' LYS . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER -37.08 -43.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -84.43 -57.97 2.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.92 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.66 164.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.64 147.05 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -45.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -113.75 -86.14 1.44 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.571 1.827 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.6 p -143.75 -56.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.1 t -167.27 -56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -168.75 162.88 11.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -159.99 142.78 13.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 133.3 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.47 109.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -155.27 157.2 36.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.31 136.67 3.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.38 118.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -142.4 159.49 57.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.02 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.61 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 16' ' ' THR . 15.5 mm-40 -142.54 -54.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 18.4 m95 -94.08 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 13' ' ' GLN . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' C ' HG12 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 23' ' ' THR . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.602 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HD2' HG22 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' A' ' 123' ' ' MET . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG11 ' HG ' ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.799 HG11 HG23 ' A' ' 108' ' ' ILE . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.608 ' HA ' HG21 ' A' ' 108' ' ' ILE . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' HG ' HG11 ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' C ' ' A' ' 135' ' ' ALA . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 88' ' ' THR . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 84' ' ' ILE . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.989 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.734 ' HA ' HD11 ' A' ' 84' ' ' ILE . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.601 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.648 HD11 ' O ' ' A' ' 85' ' ' VAL . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.648 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.799 HG23 HG11 ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.97 145.81 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.02 93.16 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -178.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.432 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.646 ' H ' HG23 ' A' ' 113' ' ' THR . 2.4 m -92.85 -5.07 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.04 52.31 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.666 ' CZ ' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -163.23 -175.43 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 -114.71 147.17 40.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 107.989 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.666 HD11 ' CZ ' ' A' ' 116' ' ' ARG . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' SER . 50.3 m80 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.776 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.838 HG22 ' HD2' ' A' ' 31' ' ' LYS . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.436 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 124' ' ' ALA . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' TRP . 62.3 t60 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.681 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.633 HG11 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.631 ' CB ' HG21 ' A' ' 89' ' ' ILE . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD23 ' HD3' ' A' ' 147' ' ' LYS . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -36.01 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.55 ' HD3' HD23 ' A' ' 144' ' ' LEU . 6.4 mtpt -86.83 -57.59 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -106.14 -179.98 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -118.91 126.97 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.29 162.05 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.7 p -145.36 144.34 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 109.5 85.43 1.66 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.15 8.96 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 79.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 23' ' ' THR . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.595 HG23 ' HG3' ' A' ' 22' ' ' ARG . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.017 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.653 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 132' ' ' LEU . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.487 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.529 HG12 HD12 ' A' ' 84' ' ' ILE . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.017 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.719 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 50.7 tp60 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' HG23 ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 41' ' ' SER . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 20.1 m-70 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.499 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.846 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.467 HG23 ' CA ' ' A' ' 30' ' ' VAL . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 132' ' ' LEU . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.773 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 43.3 t-80 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.478 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 132' ' ' LEU . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 144' ' ' LEU . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.693 HG21 ' HE2' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.693 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.671 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' A' ' 123' ' ' MET . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.773 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HE2' ' A' ' 55' ' ' LYS . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.773 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 21' ' ' VAL . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' HA ' HD11 ' A' ' 84' ' ' ILE . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 56.1 tp60 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 41' ' ' SER . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 63.5 m-70 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.429 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.746 HG22 ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.746 ' NE ' HG22 ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 124' ' ' ALA . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB3' HG11 ' A' ' 21' ' ' VAL . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 23' ' ' THR . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 19' ' ' GLU . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.948 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 121' ' ' CYS . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.453 HG13 HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' SG ' ' A' ' 121' ' ' CYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 59' ' ' LYS . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' HG21 ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.651 HG11 ' C ' ' A' ' 135' ' ' ALA . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD21 HG23 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 HD12 ' A' ' 84' ' ' ILE . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.668 ' HA ' HD11 ' A' ' 84' ' ' ILE . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HD2' ' HZ2' ' A' ' 55' ' ' LYS . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.588 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.589 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m170 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.931 ' SG ' HG22 ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.412 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 124' ' ' ALA . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.782 HG23 HD21 ' A' ' 73' ' ' LEU . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.608 ' HB3' HG11 ' A' ' 21' ' ' VAL . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.534 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.487 ' CB ' HG21 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' THR . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 69' ' ' SER . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' HG23 ' A' ' 23' ' ' THR . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.5 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.789 ' CG1' HD21 ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 41' ' ' SER . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.592 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG12 ' HD3' ' A' ' 55' ' ' LYS . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD21 ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 59' ' ' LYS . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.774 ' H ' HG23 ' A' ' 57' ' ' THR . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 1.005 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 78' ' ' GLU . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 21' ' ' VAL . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 84' ' ' ILE . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.641 ' HA ' HD11 ' A' ' 84' ' ' ILE . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.553 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.459 ' NE2' ' CB ' ' A' ' 91' ' ' LYS . 37.7 tp60 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.549 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.526 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE2' HG22 ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.489 ' HG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.5 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 35' ' ' HIS . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 84.2 m-70 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.611 HG23 ' CA ' ' A' ' 30' ' ' VAL . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.507 ' OD2' HD12 ' A' ' 132' ' ' LEU . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.507 HD12 ' OD2' ' A' ' 127' ' ' ASP . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 132' ' ' LEU . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.526 ' CB ' HG21 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 23' ' ' THR . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG12 ' C ' ' A' ' 18' ' ' GLU . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.964 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 123' ' ' MET . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.725 ' CG1' HD21 ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.743 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.633 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' HG3' ' A' ' 55' ' ' LYS . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.725 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 51' ' ' VAL . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 73' ' ' LEU . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.583 HG12 HD12 ' A' ' 84' ' ' ILE . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.631 ' HA ' HD11 ' A' ' 84' ' ' ILE . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' C ' HG13 ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 77' ' ' ASP . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' H ' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.421 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 40.5 m-20 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 132' ' ' LEU . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 41' ' ' SER . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 94.3 m-70 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.665 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.46 HG23 ' CA ' ' A' ' 30' ' ' VAL . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 105' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.417 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 73' ' ' LEU . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.511 ' HB3' HG11 ' A' ' 21' ' ' VAL . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.547 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' THR . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 123' ' ' MET . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' CG1' HD21 ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.718 HG12 ' HD3' ' A' ' 55' ' ' LYS . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB3' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.614 HD21 ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.718 ' HD3' HG12 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 54' ' ' LEU . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.835 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.032 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 30' ' ' VAL . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.549 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 84' ' ' ILE . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.032 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HA ' HD11 ' A' ' 84' ' ' ILE . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 82' ' ' ASP . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.571 ' C ' HG13 ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 88' ' ' THR . 38.3 tp60 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.425 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.894 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.456 HG12 HG11 ' A' ' 38' ' ' VAL . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 35' ' ' HIS . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 19.8 m-70 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.579 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.414 HG22 ' HD2' ' A' ' 31' ' ' LYS . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 132' ' ' LEU . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 73' ' ' LEU . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.96 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 23' ' ' THR . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.96 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.583 ' HG3' HG23 ' A' ' 23' ' ' THR . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 22' ' ' ARG . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.661 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.742 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG13 ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.677 ' C ' HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 108' ' ' ILE . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.711 HG23 ' HG2' ' A' ' 78' ' ' GLU . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 67' ' ' TRP . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.567 ' N ' HD12 ' A' ' 66' ' ' LEU . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.661 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.466 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 84' ' ' ILE . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.033 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.711 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.593 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.748 HD11 ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.748 ' O ' HD11 ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 42.4 tp60 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HG2' HG23 ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.907 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' ARG . 1.3 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.656 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 106' ' ' SER . 43.5 m-70 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 30' ' ' VAL . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.545 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.488 ' CB ' HG21 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 144' ' ' LEU . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.765 ' O ' HG22 ' A' ' 23' ' ' THR . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 19' ' ' GLU . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.788 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 61' ' ' ALA . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 121' ' ' CYS . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 78' ' ' GLU . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.991 HG11 ' HB1' ' A' ' 135' ' ' ALA . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 88' ' ' THR . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.641 HD21 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 84' ' ' ILE . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HE2' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.653 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' A' ' 47' ' ' CYS . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.935 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 51' ' ' VAL . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.469 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.935 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 31' ' ' LYS . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 131' ' ' ARG . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.465 ' HD3' HG22 ' A' ' 128' ' ' THR . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HA2' ' A' ' 129' ' ' GLY . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 47.6 t-80 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.991 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.641 ' CG1' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.619 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.542 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' THR . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 18' ' ' GLU . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 22' ' ' ARG . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.572 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.711 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.749 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' ALA . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.749 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.808 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.016 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.667 HG23 ' HG2' ' A' ' 78' ' ' GLU . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 135' ' ' ALA . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.016 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.645 ' HA ' HD11 ' A' ' 84' ' ' ILE . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.587 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.912 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' PHE . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.612 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.711 HG23 ' CA ' ' A' ' 30' ' ' VAL . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.561 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.454 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.587 ' CB ' HG21 ' A' ' 89' ' ' ILE . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 15.4 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 22' ' ' ARG . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.852 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 61' ' ' ALA . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.826 ' CD ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 108' ' ' ILE . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.826 HD12 ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 54' ' ' LEU . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.852 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.962 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 84' ' ' ILE . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.962 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.509 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 HG22 ' A' ' 84' ' ' ILE . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.623 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.836 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 122' ' ' PHE . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.566 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 21.2 m-70 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.836 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.511 HG23 ' CA ' ' A' ' 30' ' ' VAL . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.41 HG22 ' NH1' ' A' ' 131' ' ' ARG . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.534 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 19.8 t-80 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.7 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 144' ' ' LEU . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.556 ' O ' ' CE1' ' A' ' 134' ' ' HIS . 6.9 m0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.736 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 24' ' ' GLY . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.693 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG3' HD11 ' A' ' 46' ' ' ILE . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD11 ' HG3' ' A' ' 40' ' ' GLU . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.693 HD21 ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.887 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 84' ' ' ILE . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.0 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.661 ' HA ' HD11 ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.608 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.562 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG23 ' NE2' ' A' ' 87' ' ' GLN . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.893 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 122' ' ' PHE . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.748 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.893 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.534 HG23 ' CA ' ' A' ' 30' ' ' VAL . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.474 HG22 ' HD3' ' A' ' 131' ' ' ARG . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.474 ' HD3' HG22 ' A' ' 128' ' ' THR . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 133' ' ' SER . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.494 ' HB3' HG11 ' A' ' 21' ' ' VAL . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.415 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.471 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.562 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 144' ' ' LEU . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 23' ' ' THR . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' ' 23' ' ' THR . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 19' ' ' GLU . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 123' ' ' MET . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.648 ' CG1' HD21 ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 41' ' ' SER . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD21 ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 ' HG2' ' A' ' 78' ' ' GLU . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' ' 30' ' ' VAL . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' HG23 ' A' ' 21' ' ' VAL . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD3' HD22 ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 84' ' ' ILE . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.024 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.52 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' C ' HG13 ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.52 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 85' ' ' VAL . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.696 ' O ' HD11 ' A' ' 83' ' ' LEU . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.767 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.663 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.767 ' HE2' HG22 ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.423 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 10.8 m-80 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 51.0 m-70 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.637 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.485 HG23 ' CA ' ' A' ' 30' ' ' VAL . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 132' ' ' LEU . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.663 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 144' ' ' LEU . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' C ' HG12 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.876 ' O ' HG22 ' A' ' 23' ' ' THR . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 19' ' ' GLU . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.754 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 61' ' ' ALA . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.729 HG13 HD21 ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.605 HD13 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 104' ' ' ALA . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.729 HD21 HG13 ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG23 ' HG2' ' A' ' 78' ' ' GLU . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.519 ' HD3' HD22 ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG12 HD12 ' A' ' 84' ' ' ILE . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.706 ' HA ' HD11 ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.724 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.62 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 85' ' ' VAL . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.678 ' O ' HD11 ' A' ' 83' ' ' LEU . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.59 ' HB1' ' HG2' ' A' ' 44' ' ' MET . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 6.8 m-20 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.936 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.662 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' HA ' ' A' ' 41' ' ' SER . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.568 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.9 m-70 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.566 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.662 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 30' ' ' VAL . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 130' ' ' GLU . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.537 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.411 ' NH2' ' OD1' ' A' ' 127' ' ' ASP . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.489 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 23' ' ' THR . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.503 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.863 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.703 ' CG1' HD21 ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG12 ' HD3' ' A' ' 55' ' ' LYS . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.691 ' HD3' HG12 ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.863 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.02 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 78' ' ' GLU . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 30' ' ' VAL . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.609 HG11 ' C ' ' A' ' 135' ' ' ALA . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 84' ' ' ILE . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.02 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 52.2 tp60 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.592 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.819 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.834 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.596 HG21 ' HA ' ' A' ' 41' ' ' SER . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 45.6 m-70 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.912 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 131' ' ' ARG . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.436 ' H ' HG23 ' A' ' 128' ' ' THR . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.669 ' O ' HG12 ' A' ' 136' ' ' VAL . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 55.3 t-80 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.609 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.834 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.502 ' HB3' HG11 ' A' ' 21' ' ' VAL . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.4 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.592 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 144' ' ' LEU . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' C ' HG12 ' A' ' 21' ' ' VAL . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 23' ' ' THR . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 22' ' ' ARG . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' ALA . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.502 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.7 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 55' ' ' LYS . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.031 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.743 HG23 ' HG2' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.472 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 84' ' ' ILE . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.031 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.696 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.743 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.563 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 83' ' ' LEU . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.607 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.64 ' CE1' HG11 ' A' ' 136' ' ' VAL . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 35' ' ' HIS . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 30' ' ' VAL . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.619 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 59.1 t-80 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.432 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.64 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.561 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.607 ' CB ' HG21 ' A' ' 89' ' ' ILE . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 21' ' ' VAL . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 139' ' ' ALA . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.509 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' HB1' ' A' ' 135' ' ' ALA . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.935 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 123' ' ' MET . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.695 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.098 HG11 HG23 ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.843 ' HB2' HG23 ' A' ' 46' ' ' ILE . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 55' ' ' LYS . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.695 HD21 ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 51' ' ' VAL . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.014 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' HG2' ' A' ' 78' ' ' GLU . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.559 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 84' ' ' ILE . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.014 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.729 ' HA ' HD11 ' A' ' 84' ' ' ILE . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.611 ' C ' HG13 ' A' ' 76' ' ' VAL . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 85' ' ' VAL . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.627 ' O ' HD11 ' A' ' 83' ' ' LEU . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.651 HG12 ' HE2' ' A' ' 140' ' ' PHE . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.876 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.098 HG23 HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' HG12 ' A' ' 38' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 33.1 m-70 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.521 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.57 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.876 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.462 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 132' ' ' LEU . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.8 t-80 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HB1' ' SG ' ' A' ' 26' ' ' CYS . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.559 HG23 HD21 ' A' ' 73' ' ' LEU . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.651 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.535 ' CB ' HG21 ' A' ' 89' ' ' ILE . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' HA ' ' NE2' ' A' ' 134' ' ' HIS . 23.7 m95 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' THR . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.817 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' ALA . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG1' HD21 ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HE2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 135' ' ' ALA . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' THR . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HG12 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 84' ' ' ILE . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.952 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.6 ' HA ' HD11 ' A' ' 84' ' ' ILE . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.624 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 39.7 tp60 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 41' ' ' SER . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 62.7 m-70 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.427 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.659 HG12 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.664 ' HB3' HG11 ' A' ' 21' ' ' VAL . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.583 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.524 ' CB ' HG21 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 144' ' ' LEU . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.49 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 28.0 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 23' ' ' THR . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 138' ' ' CYS . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HG3' HG23 ' A' ' 23' ' ' THR . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 22' ' ' ARG . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 53' ' ' ARG . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.456 ' HA ' HG21 ' A' ' 38' ' ' VAL . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 121' ' ' CYS . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' HG2' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.541 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 ' C ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 84' ' ' ILE . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' HA ' HD11 ' A' ' 84' ' ' ILE . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 88' ' ' THR . 37.3 tp60 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.671 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.8 m-20 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.485 ' CE1' HG11 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 35' ' ' HIS . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' HG13 ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 82.3 m-70 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 54' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.978 ' HG2' HD11 ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 31' ' ' LYS . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 9.7 t-160 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.7 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 21' ' ' VAL . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.503 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.671 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ptt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 19' ' ' GLU . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.785 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.793 ' CG1' HD21 ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.644 ' OE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.682 ' O ' HG21 ' A' ' 108' ' ' ILE . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.644 HG21 ' OE2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.662 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 55' ' ' LYS . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.793 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.785 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.6 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' C ' ' A' ' 135' ' ' ALA . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.548 HG12 HD12 ' A' ' 84' ' ' ILE . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 84' ' ' ILE . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 34.3 tp60 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.44 ' OD2' HG21 ' A' ' 51' ' ' VAL . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.902 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.837 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.682 HG21 ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.1 m-70 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.837 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.902 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.498 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 128' ' ' THR . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.473 ' HA ' HG12 ' A' ' 136' ' ' VAL . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t-80 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG21 ' A' ' 89' ' ' ILE . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 144' ' ' LEU . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 18.4 m95 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' C ' HG12 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 23' ' ' THR . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.602 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HD2' HG22 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' A' ' 123' ' ' MET . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG11 ' HG ' ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.799 HG11 HG23 ' A' ' 108' ' ' ILE . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.608 ' HA ' HG21 ' A' ' 108' ' ' ILE . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 ' HG ' HG11 ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' C ' ' A' ' 135' ' ' ALA . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 88' ' ' THR . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 84' ' ' ILE . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.989 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.734 ' HA ' HD11 ' A' ' 84' ' ' ILE . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.601 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.648 HD11 ' O ' ' A' ' 85' ' ' VAL . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.648 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.799 HG23 HG11 ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.561 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' SER . 32.6 m-70 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.776 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.838 HG22 ' HD2' ' A' ' 31' ' ' LYS . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.436 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 124' ' ' ALA . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 15.1 t-80 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.681 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.633 HG11 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.541 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' CYS . . . . . 0.631 ' CB ' HG21 ' A' ' 89' ' ' ILE . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 144' ' ' LEU . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.61 -56.67 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -178.32 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.99 168.84 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -140.97 168.22 20.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.3 105.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.38 150.8 21.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.16 162.96 3.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.98 161.61 3.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.045 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -150.84 156.54 35.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.432 ' CE1' HE21 ' A' ' 15' ' ' GLN . 35.0 m80 -64.16 172.72 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -125.6 -42.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.0 m95 -104.32 -54.13 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.432 HE21 ' CE1' ' A' ' 12' ' ' HIS . 2.0 tt0 -47.54 -40.12 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 t -54.4 -31.21 54.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.368 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -80.67 -19.71 44.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' C ' HG12 ' A' ' 21' ' ' VAL . 17.8 tt0 -76.96 -18.36 58.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 23' ' ' THR . 21.5 mt-10 -95.18 -51.91 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -53.94 -16.95 6.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG12 ' C ' ' A' ' 18' ' ' GLU . 13.7 p -84.83 -26.25 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.595 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -102.96 -39.96 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.595 HG23 ' HG3' ' A' ' 22' ' ' ARG . 20.2 p -79.12 -47.5 16.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 64.4 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -175.02 44.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 44.1 t -111.7 68.51 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -128.64 142.09 51.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.44 164.99 36.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.23 4.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -144.82 177.1 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -120.8 144.52 48.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -96.99 105.34 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.2 mt -73.6 -50.35 21.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.94 -167.23 26.05 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -120.06 134.46 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 109.637 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 54' ' ' LEU . 18.2 m -121.34 163.2 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 1.0 OUTLIER -89.59 155.17 19.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 18.3 m -127.0 -171.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -47.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.24 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' SER . 8.2 mm-40 -80.18 -45.26 18.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.6 ' OG ' ' CE3' ' A' ' 117' ' ' TRP . 1.6 t 84.79 3.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 119.52 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.35 117.98 0.43 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.7 mtm -55.21 -24.31 26.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.31 -16.23 38.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.2 mm -69.28 -58.16 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.1 m -41.07 -52.37 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.98 -48.07 76.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -26.73 43.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.2 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 ' HE3' ' A' ' 55' ' ' LYS . 18.3 t -43.55 -60.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -47.08 8.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -50.74 -54.82 20.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 36' ' ' VAL . 6.9 mt -66.19 -24.17 66.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.22 -18.78 60.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.97 -15.68 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.35 -16.87 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.28 68.57 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 5.3 ttpt -129.34 -149.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -150.43 167.8 26.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.793 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -105.44 165.54 11.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 55.3 t -115.74 139.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.093 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -82.7 100.85 10.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.017 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.03 167.95 22.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.653 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.5 t -99.54 126.52 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 HD23 HD23 ' A' ' 132' ' ' LEU . 7.0 tp -88.52 113.46 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.523 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 42.8 m95 -94.87 142.44 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.024 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.487 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.8 t -126.39 126.19 68.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' GLY . 47.9 m -144.46 159.02 43.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.65 55.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -68.94 -16.06 63.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 139.04 -124.71 2.88 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD23 HG13 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -134.97 175.44 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -158.4 110.11 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.529 HG12 HD12 ' A' ' 84' ' ' ILE . 61.2 t -85.63 94.46 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.017 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -83.41 153.28 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.719 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -99.93 103.42 14.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.653 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.2 mt-10 -40.38 -28.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 77' ' ' ASP . 22.5 tttt -43.6 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.484 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.5 t -123.66 17.54 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 10.6 mmtm 68.0 7.73 6.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -54.23 -171.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -114.4 120.19 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.5 mt -87.99 -48.09 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.2 t -145.29 155.44 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.66 99.22 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 50.7 tp60 -101.29 142.39 32.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -107.98 137.82 45.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.404 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -52.81 -37.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' HG23 ' A' ' 88' ' ' THR . 6.8 mmtt -43.14 -57.9 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' LYS . 96.0 t -39.52 109.05 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -86.32 -48.16 8.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -142.26 161.68 37.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.9 p -155.66 112.28 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.71 152.8 59.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -165.3 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -126.66 -176.23 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -173.13 60.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -162.22 -44.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.5 m-85 -89.09 -170.26 2.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.7 -30.38 17.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.846 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 3.3 ptt180 -172.51 81.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -125.98 106.36 9.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.7 t80 -112.24 142.13 45.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 162.53 39.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.6 p90 -153.64 147.94 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 41' ' ' SER . 8.9 mt -87.37 146.3 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.7 p -157.08 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.7 ttm-85 -84.03 115.8 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -42.76 155.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -129.94 38.61 1.95 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 p -142.87 -51.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.369 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.691 HG22 ' HG3' ' A' ' 115' ' ' ARG . 36.0 m -93.36 -103.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.691 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.3 OUTLIER -178.04 47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -142.8 -168.6 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 26.9 m95 -105.46 140.19 38.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 2.1 mm -129.54 147.89 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 8.5 t -118.6 142.12 47.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.272 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 20.1 m-70 -113.58 155.87 24.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.609 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.518 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.6 m -137.35 151.96 49.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 29.3 m-85 -147.74 122.7 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.499 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -91.29 99.23 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.846 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.38 157.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.467 HG23 ' CA ' ' A' ' 30' ' ' VAL . 39.2 t -93.84 -65.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -127.08 41.88 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -145.98 -173.15 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 132' ' ' LEU . 2.5 t -123.81 148.88 46.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -46.0 -40.06 9.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.7 OUTLIER -44.48 -61.05 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -50.0 -45.98 52.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.773 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.9 mp -61.97 -33.18 73.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 136' ' ' VAL . 1.1 p -70.13 -21.53 63.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.597 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 43.3 t-80 -80.35 -47.65 14.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -60.38 -52.22 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 132' ' ' LEU . 7.6 p -60.21 -39.76 81.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.89 -14.48 82.56 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.597 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 6.6 m -77.33 -56.47 4.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.44 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -54.84 -46.36 74.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -53.78 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.44 79.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -59.19 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.47 ' CB ' HG21 ' A' ' 89' ' ' ILE . 44.3 t -53.4 -50.05 65.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.333 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -57.54 -49.19 77.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.01 -56.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -44.51 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.5 mtmt -80.48 -57.34 3.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -62.5 -172.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 149.03 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.39 134.54 54.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 33.1 t -98.48 134.78 40.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 60.41 156.75 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.88 27.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 50.8 p -147.04 76.7 1.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 75.2 m -85.11 -59.72 2.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m 59.85 85.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -68.73 150.26 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.05 172.74 1.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.7 -59.39 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 p -165.63 108.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.4 -114.87 4.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.36 110.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m 62.51 135.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.12 153.34 76.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 178.0 7.83 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 3.3 m170 -91.24 168.45 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.621 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.535 ' C ' HG22 ' A' ' 16' ' ' THR . 31.6 tt0 87.58 -39.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 134' ' ' HIS . 26.8 m95 -97.08 -56.57 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -46.65 -38.68 10.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.535 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -53.89 -45.07 70.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 66.4 m-20 -69.13 -10.77 59.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.574 ' O ' HG12 ' A' ' 21' ' ' VAL . 13.2 tt0 -92.22 -31.02 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.615 ' O ' HG22 ' A' ' 23' ' ' THR . 5.8 pt-20 -86.17 -42.04 14.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -61.75 -11.83 31.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -97.65 -20.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.785 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -96.27 -18.91 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.693 HG21 ' HE2' ' A' ' 25' ' ' LYS . 8.8 t -109.92 -34.94 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.62 71.78 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.693 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER -178.85 37.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.268 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 18.5 t -101.09 73.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 39.9 p -129.07 143.14 50.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -139.67 163.48 44.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.32 4.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -141.49 -177.34 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.671 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 11.8 mtpt -125.72 142.5 51.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -94.77 107.12 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' A' ' 123' ' ' MET . 25.8 mt -77.02 -52.95 8.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.79 -161.61 28.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -121.52 143.74 49.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.773 ' CG1' HD21 ' A' ' 54' ' ' LEU . 19.5 m -134.41 155.58 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -91.79 114.79 27.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 119' ' ' CYS . 20.7 m -69.13 -169.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.1 -43.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.1 mm-40 -95.37 -39.63 9.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 85.66 4.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.978 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -160.62 133.18 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.23 127.19 2.09 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtm -60.31 -32.64 71.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -78.38 -14.84 59.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' CYS . 5.8 mm -71.6 -60.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 85.5 m -41.15 -52.7 3.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 9.9 mt-10 -55.53 -48.06 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -26.91 46.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.81 -46.37 85.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG12 ' HE2' ' A' ' 55' ' ' LYS . 21.4 t -61.15 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -42.93 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -54.27 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.773 HD21 ' CG1' ' A' ' 36' ' ' VAL . 5.4 mt -69.4 -10.26 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 21.4 mmtm -88.15 -20.85 25.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.93 -4.1 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.3 t -71.72 -35.81 70.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.95 51.63 2.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -122.74 -154.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.64 170.84 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.671 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.45 154.2 22.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.3 t -107.98 160.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 2.6 mtpt -99.74 98.45 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -140.37 168.1 20.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 78' ' ' GLU . 74.8 t -101.8 128.21 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -90.9 117.64 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.2 m95 -99.26 145.1 27.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.5 t -130.72 124.05 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' HG23 ' A' ' 21' ' ' VAL . 22.4 m -144.14 164.11 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.985 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -26.66 61.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -76.5 -9.53 58.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.08 -136.15 9.02 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.414 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -121.99 174.32 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -158.31 106.0 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 46.2 t -81.99 97.39 3.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -86.79 154.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' HA ' HD11 ' A' ' 84' ' ' ILE . 62.1 t0 -101.07 103.9 15.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.8 mt-10 -39.4 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.3 tmtt? -44.35 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.5 t -118.3 16.85 13.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' C ' HG13 ' A' ' 76' ' ' VAL . 8.3 mmmm 68.19 7.73 6.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.543 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -52.66 -177.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.05 121.38 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.2 mt -90.48 -51.18 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.9 t -140.13 152.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.0 95.93 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 56.1 tp60 -101.89 145.34 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -109.83 138.38 46.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.0 tp -54.22 -25.39 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -59.5 -64.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 4.7 mptt -47.61 -49.56 26.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.2 t -49.51 110.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -93.99 -47.86 6.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -135.14 154.15 51.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.29 124.41 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.73 151.9 64.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.03 -165.34 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 3.6 m-20 -133.34 165.81 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -124.53 -42.99 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -47.01 -53.4 12.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 5.2 m-85 -89.48 -172.4 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -110.82 -37.08 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -134.46 72.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.44 105.75 6.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 136' ' ' VAL . 14.6 t80 -118.61 126.62 52.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 24.0 p -137.04 150.82 48.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.0 p90 -141.01 153.23 45.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 41' ' ' SER . 11.4 mt -92.61 148.5 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -157.43 139.41 14.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -79.81 96.43 6.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.0 t0 -48.08 137.8 10.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.51 -27.54 7.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.84 -36.99 78.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 24.2 m -107.55 -18.24 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 67.02 53.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.245 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.721 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.5 ptp85 -145.32 -170.07 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -98.08 113.06 24.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.721 HD11 ' HD2' ' A' ' 116' ' ' ARG . 20.3 mm -122.75 138.92 51.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.499 ' HB2' HG13 ' A' ' 38' ' ' VAL . 52.8 t -115.83 136.61 52.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 63.5 m-70 -108.15 139.29 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.626 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 55.6 m -118.4 148.2 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 108.334 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 43.8 m-85 -144.65 127.21 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.715 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -98.67 99.08 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.33 156.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.429 HG23 ' CA ' ' A' ' 30' ' ' VAL . 32.2 t -92.72 -62.54 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 41.56 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -143.34 168.78 18.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.746 HG22 ' NE ' ' A' ' 131' ' ' ARG . 9.7 t -99.0 152.63 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -55.63 -34.8 60.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -56.1 -54.41 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.351 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.746 ' NE ' HG22 ' A' ' 128' ' ' THR . 0.3 OUTLIER -50.41 -36.9 35.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 124' ' ' ALA . 4.2 mp -70.28 -32.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.68 -22.36 63.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 28.5 t-80 -76.5 -60.68 2.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.641 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -45.57 -57.35 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.6 p -57.4 -32.71 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.03 -6.58 88.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.496 ' HB3' HG11 ' A' ' 21' ' ' VAL . 89.9 m -87.55 -62.22 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -49.66 -33.38 15.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.43 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -67.44 -53.45 28.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.07 -21.65 63.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.84 -59.1 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.474 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.6 t -52.92 -45.0 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.715 HD22 ' CE ' ' A' ' 147' ' ' LYS . 12.5 mt -67.04 -38.56 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -26.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -38.01 65.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.715 ' CE ' HD22 ' A' ' 144' ' ' LEU . 2.9 pttp -89.43 -50.79 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.474 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 1.6 pp0? -104.18 171.33 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.0 156.75 43.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -139.5 145.09 38.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.65 92.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -76.06 156.48 47.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 135.31 18.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.11 55.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.4 t 74.49 -58.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.01 146.43 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.74 -58.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.09 -141.8 8.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t 63.83 143.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.76 128.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.19 134.8 8.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 68.07 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.9 m -70.6 149.29 47.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -138.86 160.2 63.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.0 90.84 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -156.82 -67.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 9.4 m95 -84.44 -55.54 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.028 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -50.51 39.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -56.85 -22.23 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -94.77 -13.64 25.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.0 tt0 -85.19 -16.53 40.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 23' ' ' THR . 9.3 pt-20 -93.21 -45.2 7.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.86 -13.09 12.24 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.7 p -85.64 -25.71 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.5 ptp180 -102.92 -29.85 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 19' ' ' GLU . 34.1 p -86.73 -49.23 7.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 119.18 68.8 0.32 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 178.8 40.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 17.8 t -105.0 70.74 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 77.8 p -129.27 149.44 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.33 165.37 25.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.5 m -143.29 169.92 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.948 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 16.6 mtpt -116.01 146.28 42.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -98.37 108.07 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' A' ' 121' ' ' CYS . 89.1 mt -74.05 -36.94 64.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.14 -175.14 18.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.3 OUTLIER -116.4 138.53 51.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.587 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.453 HG13 HD21 ' A' ' 54' ' ' LEU . 7.5 m -129.19 166.89 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.11 140.84 29.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.263 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 32.4 m -111.29 -171.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.56 -45.63 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.5 mm-40 -80.86 -41.32 23.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.8 m 79.56 0.03 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 117.03 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.92 125.73 0.78 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -59.74 -24.3 63.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -84.3 -9.4 58.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.9 mm -81.83 -47.24 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.705 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 95.3 m -46.41 -56.29 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 50' ' ' ALA . 4.1 mt-10 -56.74 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.76 -27.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -69.39 -56.73 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' SG ' ' A' ' 121' ' ' CYS . 4.9 t -49.54 -61.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -40.32 -45.17 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -53.5 -53.59 49.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.453 HD21 HG13 ' A' ' 36' ' ' VAL . 9.1 mt -70.0 -13.07 62.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -89.2 -19.42 25.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.2 0.54 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 59' ' ' LYS . 1.9 t -71.13 -26.7 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.37 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 50.4 4.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -128.47 -142.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.2 147.89 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.948 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -74.48 139.55 43.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 15.4 t -93.55 156.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -97.35 100.65 12.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -143.78 167.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.621 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.0 t -102.29 124.38 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' HG21 ' A' ' 30' ' ' VAL . 6.7 tp -86.74 114.46 23.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 53.2 m95 -97.09 143.0 28.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.651 HG11 ' C ' ' A' ' 135' ' ' ALA . 6.5 t -128.38 126.77 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.412 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 14.5 m -144.1 161.83 37.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -57.99 -21.34 44.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.09 -0.91 51.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.03 -134.03 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD21 HG23 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -123.81 174.38 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.54 99.84 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 HG12 HD12 ' A' ' 84' ' ' ILE . 59.3 t -80.64 99.09 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -88.43 154.62 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.668 ' HA ' HD11 ' A' ' 84' ' ' ILE . 52.9 t0 -100.73 103.77 15.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.621 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.48 -29.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -42.89 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -117.96 14.97 14.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.582 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.3 mmtt 69.61 6.87 5.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.68 -172.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.37 123.82 51.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.668 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.1 mt -91.6 -49.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -141.85 151.83 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -131.57 93.84 3.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 67.7 tp60 -99.78 143.57 29.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.477 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -109.06 136.9 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.395 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.1 tp -55.6 -22.25 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -59.89 -63.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -53.42 -54.6 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t -40.47 114.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -96.38 -50.42 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 89.7 t80 -133.97 154.01 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.18 115.35 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.34 150.86 77.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.91 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -136.57 -178.79 5.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.71 -49.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -40.06 -41.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' HD2' ' HZ2' ' A' ' 55' ' ' LYS . 5.7 m-85 -97.47 -179.48 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 -43.31 9.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 2.1 ptp85 -145.44 81.01 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -134.44 102.93 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.588 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 11.3 t80 -112.57 149.46 32.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 12.0 p -150.88 162.15 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.589 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 1.7 p90 -146.2 139.71 26.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -90.32 147.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.6 p -156.25 174.95 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -107.46 92.19 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.3 157.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.83 -40.23 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.7 p -57.56 -50.83 71.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.445 HG21 ' HD2' ' A' ' 116' ' ' ARG . 20.8 m -88.3 -17.39 30.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.96 49.27 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 37' ' ' GLU . 9.9 ptm180 -149.03 -166.08 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -97.51 134.51 40.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 108.003 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.545 HG22 ' CD2' ' A' ' 120' ' ' HIS . 3.4 mm -137.11 153.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.4 t -125.01 136.08 53.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 6.5 m170 -119.43 144.36 46.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.931 ' SG ' HG22 ' A' ' 51' ' ' VAL . 8.1 t -123.01 160.25 26.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' PHE . 71.4 m-85 -149.39 114.33 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -87.06 97.04 10.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.704 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.96 154.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.412 HG23 ' CA ' ' A' ' 30' ' ' VAL . 45.6 t -88.5 -64.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.74 41.04 3.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -137.83 -173.07 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.6 t -123.62 146.65 48.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.56 4.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.409 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -54.95 -67.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 3.2 mpp_? -49.7 -37.92 30.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 124' ' ' ALA . 1.7 mp -57.5 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.443 ' HA ' HG12 ' A' ' 136' ' ' VAL . 5.5 p -54.96 -19.63 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -77.88 -50.29 12.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.86 -49.34 73.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.782 HG23 HD21 ' A' ' 73' ' ' LEU . 12.6 p -69.42 -33.2 56.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.13 -7.58 84.56 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.608 ' HB3' HG11 ' A' ' 21' ' ' VAL . 44.6 m -86.89 -54.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.534 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -54.51 -33.95 60.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.491 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -64.09 -56.33 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.19 -22.81 61.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.53 -56.44 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.487 ' CB ' HG21 ' A' ' 89' ' ' ILE . 49.6 t -56.31 -46.56 79.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 147' ' ' LYS . 18.3 mt -64.45 -38.6 91.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -28.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.01 -36.42 64.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 mtmt -87.26 -57.29 3.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -104.56 -177.48 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 157.45 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.98 111.15 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.1 p -118.06 96.52 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -138.6 156.97 24.43 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.448 1.092 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -178.18 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.37 75.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -60.18 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.11 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 104.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -152.14 158.13 42.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.35 -94.31 2.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.78 108.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.97 138.21 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.43 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.01 162.57 39.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -120.3 51.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -70.77 152.52 95.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CE1' ' OG1' ' A' ' 16' ' ' THR . 0.2 OUTLIER -78.97 85.76 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' N ' HG22 ' A' ' 16' ' ' THR . 9.0 mt-30 -155.9 -67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 6.2 m95 -92.45 -60.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 107.994 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -49.37 -46.7 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 13' ' ' GLN . 7.4 t -54.38 -31.55 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.39 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -84.02 -16.58 43.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.5 tt0 -83.83 -21.19 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.861 ' O ' HG23 ' A' ' 23' ' ' THR . 7.1 pt-20 -96.73 -47.04 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.512 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -54.69 -16.08 6.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 69' ' ' SER . 12.6 p -86.96 -48.41 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' HG3' HG23 ' A' ' 23' ' ' THR . 5.2 ptt180 -78.0 -1.42 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 19' ' ' GLU . 69.8 p -116.14 -55.05 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.88 57.66 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -169.71 33.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 0.785 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 16.0 t -99.6 68.82 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 45.2 p -129.02 144.74 51.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.491 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -138.43 164.44 40.14 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 115.92 4.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.611 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -138.83 -175.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.6 mtpt -130.03 130.02 44.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 6.5 t80 -84.52 107.59 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.005 HD23 ' HB2' ' A' ' 61' ' ' ALA . 79.8 mt -75.31 -43.06 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.32 -161.15 24.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.5 OUTLIER -124.71 153.27 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 109.62 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.789 ' CG1' HD21 ' A' ' 54' ' ' LEU . 5.2 m -148.29 152.37 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -86.63 112.39 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 41' ' ' SER . 17.0 m -65.14 -170.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.67 -44.09 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 -29.2 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.592 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 76.31 4.9 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.961 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.45 127.98 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.39 127.14 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mtm -59.58 -30.64 68.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -81.21 -11.73 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -76.3 -68.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 p -42.2 -43.17 3.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -60.57 -62.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.22 -39.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -52.18 -54.79 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG12 ' HD3' ' A' ' 55' ' ' LYS . 92.3 t -40.55 -62.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.28 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -52.7 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD21 ' CG1' ' A' ' 36' ' ' VAL . 19.1 mt -69.94 -29.29 66.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.49 ' NZ ' ' CE2' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -74.67 -10.86 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.12 -5.0 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.774 HG23 ' H ' ' A' ' 59' ' ' LYS . 2.7 t -74.99 -28.82 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 98.12 -34.33 5.31 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.774 ' H ' HG23 ' A' ' 57' ' ' THR . 10.0 ttmm -39.46 -48.31 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 84.82 -166.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 1.005 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -115.01 147.03 40.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 4.2 t -103.13 160.56 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -94.36 99.43 11.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.42 167.84 23.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG23 ' HG2' ' A' ' 78' ' ' GLU . 58.8 t -102.39 135.03 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HG21 ' A' ' 30' ' ' VAL . 9.3 tp -95.68 115.91 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.9 m95 -98.55 141.7 31.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.5 t -126.8 124.9 65.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 21' ' ' VAL . 50.7 m -144.07 161.99 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.93 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -65.68 -18.66 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.84 -128.75 4.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -125.99 174.63 8.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -158.55 104.86 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 84' ' ' ILE . 66.1 t -80.71 98.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -88.25 154.83 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.641 ' HA ' HD11 ' A' ' 84' ' ' ILE . 55.6 t0 -101.49 103.69 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -38.87 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -42.15 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -118.97 16.58 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.553 ' C ' HG13 ' A' ' 76' ' ' VAL . 7.4 mmtt 68.85 8.09 6.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.268 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.523 ' HB2' HG22 ' A' ' 80' ' ' THR . 11.0 t0 -53.03 -173.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -111.38 121.28 44.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -89.96 -48.93 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.2 t -143.95 154.21 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -130.77 91.82 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.459 ' NE2' ' CB ' ' A' ' 91' ' ' LYS . 37.7 tp60 -97.09 139.59 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.549 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -103.44 138.8 39.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.526 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -49.11 -30.17 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.69 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HE2' HG22 ' A' ' 88' ' ' THR . 1.7 mppt? -43.45 -52.19 6.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.83 106.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.7 p -95.56 -45.0 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -138.07 155.87 48.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.85 114.58 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . . . -123.93 153.45 67.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.557 1.819 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -131.29 167.74 18.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.31 -52.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -47.98 -51.85 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' NZ ' ' A' ' 55' ' ' LYS . 6.0 m-85 -92.85 175.93 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -107.92 -17.57 14.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -143.5 69.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.38 101.81 4.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 122' ' ' PHE . 17.9 t80 -111.64 117.96 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.489 ' HG ' ' CB ' ' A' ' 121' ' ' CYS . 47.3 m -135.21 143.95 46.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.2 p90 -138.01 153.62 49.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.7 mt -96.0 143.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.3 p -157.27 146.02 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -83.69 93.14 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 6.0 t0 -40.31 121.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.57 77.7 0.82 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' H ' ' A' ' 114' ' ' THR . 0.3 OUTLIER -174.44 -61.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 0.726 . . . . 0.0 110.403 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.649 ' H ' HG23 ' A' ' 113' ' ' THR . 3.7 m -84.46 -10.43 57.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.76 58.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.51 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.0 ptp85 -154.19 -178.19 6.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -98.38 132.8 43.54 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.51 HD11 ' HD2' ' A' ' 116' ' ' ARG . 19.9 mm -135.1 137.63 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.6 t -110.39 134.74 52.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 84.2 m-70 -111.71 126.2 54.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.489 ' CB ' ' HG ' ' A' ' 106' ' ' SER . 20.9 m -110.4 151.22 27.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 108.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 37.5 m-85 -146.27 123.48 11.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.27 97.57 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.824 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.77 153.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.611 HG23 ' CA ' ' A' ' 30' ' ' VAL . 69.8 t -90.73 -63.19 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -130.24 47.28 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.507 ' OD2' HD12 ' A' ' 132' ' ' LEU . 16.3 t70 -148.42 174.23 12.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.5 t -112.12 140.87 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' GLU . . . -41.63 -42.11 3.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 133' ' ' SER . 0.0 OUTLIER -38.26 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -45.75 -47.99 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.507 HD12 ' OD2' ' A' ' 127' ' ' ASP . 2.6 mp -54.59 -35.43 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 130' ' ' GLU . 1.2 p -73.4 -18.81 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.564 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 33.5 t-80 -83.01 -57.99 3.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.87 -46.84 11.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 132' ' ' LEU . 9.5 p -66.94 -39.1 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.98 -7.11 83.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.564 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 68.8 m -86.51 -57.3 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -53.4 -43.61 68.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -57.25 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.07 -36.92 68.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.88 -60.69 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.526 ' CB ' HG21 ' A' ' 89' ' ' ILE . 35.2 t -53.29 -44.49 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 147' ' ' LYS . 17.2 mt -66.0 -38.61 88.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -29.15 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.76 -36.96 65.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -86.73 -57.1 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -107.4 -178.25 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -108.77 146.75 33.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -92.62 143.98 25.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 43.8 t 179.91 170.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 93.64 101.7 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 179.74 5.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -140.6 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 12.8 p -161.42 -57.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.052 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.52 115.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -124.3 170.34 10.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 151.79 20.1 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.87 94.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -142.35 96.92 3.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.33 101.26 0.41 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.32 127.31 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 m -64.02 163.17 12.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -145.75 160.95 42.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.45 ' CE1' HE21 ' A' ' 15' ' ' GLN . 41.8 m170 58.44 162.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' C ' HG22 ' A' ' 16' ' ' THR . 11.0 tp60 -122.49 -53.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.549 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 24.8 m95 -95.04 -49.88 5.33 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.45 HE21 ' CE1' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -48.4 -41.67 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -59.27 -15.1 13.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.464 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -94.61 -12.27 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 mt-10 -91.76 -24.28 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.783 ' O ' HG23 ' A' ' 23' ' ' THR . 16.9 pt-20 -93.9 -46.3 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -57.84 -11.17 7.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG12 ' C ' ' A' ' 18' ' ' GLU . 4.6 p -91.33 -39.03 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -87.42 -7.67 57.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 19' ' ' GLU . 62.6 p -110.21 -47.29 3.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.52 56.66 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.05 28.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 42.1 t -94.21 77.75 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 108.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 91.7 p -133.51 154.07 51.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -150.11 165.2 18.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.05 116.64 4.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -143.9 172.4 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.964 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 15.9 mtpt -118.06 146.06 44.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -97.04 102.7 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 123' ' ' MET . 76.7 mt -68.99 -42.18 76.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.32 23.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -128.51 138.19 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 109.588 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.725 ' CG1' HD21 ' A' ' 54' ' ' LEU . 22.8 m -129.0 159.65 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.8 tt0 -94.75 113.3 25.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.6 m -65.91 -168.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.13 -43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -100.91 -25.99 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.743 ' HA ' HD13 ' A' ' 108' ' ' ILE . 1.9 m 65.73 10.32 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.21 116.8 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.78 129.63 1.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.6 mtm -61.48 -30.09 70.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -77.05 -9.8 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mm -79.08 -56.14 7.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.633 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 57.0 m -42.29 -61.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 21.4 mt-10 -53.42 -48.47 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -31.76 9.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -61.25 -59.05 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG12 ' HG3' ' A' ' 55' ' ' LYS . 33.3 t -44.72 -59.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 10.1 mttt -42.8 -46.19 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -56.53 14.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.725 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.0 mt -63.95 -34.6 78.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' HG3' HG12 ' A' ' 51' ' ' VAL . 19.7 mttt -69.05 -19.9 64.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.55 -12.83 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -76.1 -22.27 55.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.449 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.4 58.21 5.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -119.55 -157.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.26 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -143.92 173.66 11.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -111.28 143.74 41.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 37.7 t -96.01 156.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.92 102.26 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.98 167.82 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 78' ' ' GLU . 69.6 t -103.31 127.65 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.4 tp -88.76 116.31 26.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 56.5 m95 -100.59 143.95 30.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG13 ' CD2' ' A' ' 73' ' ' LEU . 2.7 t -127.97 126.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -143.95 160.77 40.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.547 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -53.78 -33.04 54.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.66 -16.29 63.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.82 -129.18 4.7 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -126.25 174.69 8.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -158.38 107.08 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.583 HG12 HD12 ' A' ' 84' ' ' ILE . 45.5 t -84.82 96.02 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.5 t -85.13 154.74 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.631 ' HA ' HD11 ' A' ' 84' ' ' ILE . 59.1 t0 -101.81 103.74 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -39.0 -30.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.8 tmtt? -41.75 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.4 t -121.84 18.37 11.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' C ' HG13 ' A' ' 76' ' ' VAL . 9.1 mmtt 69.01 7.11 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 19.7 t0 -52.6 179.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -105.69 122.61 46.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.631 HD11 ' HA ' ' A' ' 77' ' ' ASP . 28.1 mt -90.91 -53.35 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.18 153.54 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.23 91.79 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -98.69 143.06 29.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -106.68 140.75 39.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -54.47 -28.11 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -57.4 -66.93 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' H ' HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -45.88 -50.87 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.45 101.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -82.99 -48.85 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -136.36 153.08 51.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -155.49 116.64 3.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.47 153.66 80.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -140.63 170.43 15.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.97 -45.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.421 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 40.5 m-20 -39.83 -54.87 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.16 -167.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -34.48 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.12 73.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.665 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.11 105.89 6.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 132' ' ' LEU . 10.3 t80 -118.05 131.72 56.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 13.1 p -140.3 145.27 37.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 4.5 p90 -132.88 143.99 49.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.743 HD13 ' HA ' ' A' ' 41' ' ' SER . 20.5 mt -89.52 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.6 p -157.13 138.81 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -77.63 95.51 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 116' ' ' ARG . 10.0 t70 -49.64 155.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -116.06 -42.52 0.71 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 p -55.85 -50.27 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.389 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 116' ' ' ARG . 40.4 m -85.29 -23.47 28.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 72.61 51.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.715 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.1 ptp85 -156.1 -171.62 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -94.41 123.97 38.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.047 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.715 HD11 ' HD2' ' A' ' 116' ' ' ARG . 19.6 mm -132.2 133.93 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 53.5 t -108.8 138.84 44.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 94.3 m-70 -112.13 122.01 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.1 m -103.63 154.01 19.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 108.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 79.0 m-85 -149.2 126.62 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.665 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -95.55 96.68 9.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.85 151.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.46 HG23 ' CA ' ' A' ' 30' ' ' VAL . 61.7 t -87.54 -63.44 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -132.03 41.69 3.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.81 -159.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.9 t -143.58 139.55 29.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.73 -35.18 1.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -49.49 -59.65 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -59.65 -34.63 73.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 105' ' ' PHE . 4.4 mp -64.54 -46.65 81.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -23.05 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 12.3 t-160 -71.25 -58.66 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.62 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.417 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.74 -60.68 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 73' ' ' LEU . 11.9 p -56.35 -31.49 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.26 -6.68 87.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.511 ' HB3' HG11 ' A' ' 21' ' ' VAL . 82.2 m -89.29 -58.29 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.547 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.7 -36.54 62.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -54.04 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.11 -32.28 70.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.25 -66.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.498 ' CB ' HG21 ' A' ' 89' ' ' ILE . 17.2 t -45.83 -43.31 13.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.694 HD23 ' HE2' ' A' ' 147' ' ' LYS . 56.1 mt -67.76 -43.36 80.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -34.13 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -35.95 81.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.694 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -92.39 -59.03 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -98.76 179.15 4.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -131.52 167.8 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.01 91.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 11.1 p -105.53 99.87 9.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -103.07 158.97 17.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.77 17.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 60.9 m -132.84 -55.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 8.3 m -159.08 -60.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -58.51 5.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.14 128.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.4 119.06 1.0 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -65.84 131.78 47.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -114.54 162.36 16.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 -116.62 1.64 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.11 112.47 4.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -146.33 161.53 40.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -135.74 149.08 67.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 16' ' ' THR . 3.5 t-160 -175.25 -43.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -89.09 -37.29 15.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' CE3' ' CB ' ' A' ' 134' ' ' HIS . 8.3 m0 -100.47 -41.71 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -56.6 -38.74 72.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 12' ' ' HIS . 3.3 t -58.87 -22.78 59.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 65.5 m-20 -93.42 -13.21 28.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 21' ' ' VAL . 8.0 tt0 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' THR . 4.1 pt-20 -90.65 -40.59 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' C ' ' HB2' ' A' ' 26' ' ' CYS . . . -59.69 -13.54 25.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.4 p -89.81 -27.34 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' HA ' ' A' ' 19' ' ' GLU . 1.9 ptm85 -102.81 -8.87 20.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' GLU . 44.4 p -109.86 -61.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.5 64.73 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.7 t -104.29 64.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.549 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 82.6 p -125.09 147.44 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.89 164.2 37.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.42 4.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.9 m -143.16 175.22 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.835 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.5 mtpt -120.6 140.35 51.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -92.19 106.95 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD21 ' HG3' ' A' ' 123' ' ' MET . 86.5 mt -75.6 -45.22 38.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 142.33 -155.86 25.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -133.78 138.82 45.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' CG1' HD21 ' A' ' 54' ' ' LEU . 13.3 m -129.7 156.65 42.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 7.5 tt0 -91.29 109.91 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 30.7 m -60.09 -166.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -45.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 41' ' ' SER . 2.8 mm-40 -93.76 -38.39 11.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.8 t 87.54 -3.14 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.47 132.97 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.81 129.24 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.4 mtm -61.91 -35.32 78.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mm -75.81 -54.08 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 89.5 m -41.6 -59.11 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -54.27 -50.8 66.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.26 -31.22 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.48 -61.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.718 HG12 ' HD3' ' A' ' 55' ' ' LYS . 38.8 t -43.19 -63.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.234 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.49 -51.05 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.41 ' HB3' HG11 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -44.6 -53.95 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.614 HD21 ' CG1' ' A' ' 36' ' ' VAL . 21.2 mt -67.65 -30.34 69.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.718 ' HD3' HG12 ' A' ' 51' ' ' VAL . 3.1 mptt -74.02 -12.16 60.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.06 -11.74 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 54' ' ' LEU . 1.2 t -70.88 -30.32 66.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.14 50.48 3.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -124.14 -160.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -143.2 176.55 9.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.835 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -108.82 147.75 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 22.0 t -101.91 154.42 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.96 102.91 15.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.032 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -146.0 167.87 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.1 t -102.54 125.93 56.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' A' ' 30' ' ' VAL . 8.6 tp -88.27 115.22 25.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.549 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -96.29 144.33 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.455 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 13.7 t -128.66 125.82 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 m -143.69 156.77 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.59 -24.07 45.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.47 -5.5 58.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.45 -145.71 16.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -121.29 174.93 6.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 0.807 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -158.38 110.54 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 84' ' ' ILE . 62.1 t -84.15 94.73 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.032 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -82.94 154.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HA ' HD11 ' A' ' 84' ' ' ILE . 57.0 t0 -101.45 103.57 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.9 mt-10 -38.94 -29.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.4 tmtt? -43.22 -76.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 82' ' ' ASP . 6.6 t -118.9 17.06 13.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.571 ' C ' HG13 ' A' ' 76' ' ' VAL . 12.5 mmtp 68.68 7.44 6.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -53.43 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -109.19 121.6 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.1 mt -89.81 -49.64 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.0 t -143.31 154.79 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.25 96.64 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 88' ' ' THR . 38.3 tp60 -99.92 142.85 30.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -104.03 141.67 35.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.399 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.473 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.6 tp -57.96 -28.31 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -53.56 -69.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.0 mmtm -43.04 -47.53 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.73 117.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.7 t -109.2 -43.63 4.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -132.08 153.75 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.11 114.24 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.65 154.84 81.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.425 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 15.9 p-10 -121.11 -177.16 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -160.52 41.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -147.3 -46.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -91.29 169.63 10.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 2.3 t0 -70.73 -44.84 65.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.894 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -150.01 83.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -126.19 108.92 11.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 10.8 t80 -117.1 137.54 52.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 54.8 p -147.28 147.03 29.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.952 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.8 p90 -135.38 150.46 49.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.456 HG12 HG11 ' A' ' 38' ' ' VAL . 49.9 mt -95.68 143.72 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.2 147.17 20.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 108.327 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 67.0 ttt180 -86.74 92.91 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 116' ' ' ARG . 9.5 t70 -45.96 154.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.37 -46.08 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -47.98 -36.77 13.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.1 m -110.89 -17.49 13.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 63.49 59.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.626 ' HD2' HD11 ' A' ' 118' ' ' ILE . 2.1 ptp85 -150.22 -169.95 3.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -97.94 118.23 34.04 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.626 HD11 ' HD2' ' A' ' 116' ' ' ARG . 18.0 mm -129.67 131.39 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.0 t -106.51 131.77 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 19.8 m-70 -106.65 121.94 45.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.528 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.541 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.3 m -103.84 140.22 37.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.366 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 39.4 m-85 -136.6 133.51 36.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.579 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.11 101.14 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.03 163.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.414 HG22 ' HD2' ' A' ' 31' ' ' LYS . 31.8 t -100.83 -70.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -26.32 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -174.93 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 132' ' ' LEU . 10.0 t -120.34 149.53 42.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -45.52 -29.55 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -57.28 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -38.48 -55.41 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.6 mp -48.01 -61.72 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 p -50.66 -25.48 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.594 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -77.81 -50.46 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.601 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.4 -56.55 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.598 HG23 HD21 ' A' ' 73' ' ' LEU . 13.4 p -58.77 -28.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.65 -9.05 86.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 85.7 m -82.73 -56.03 4.08 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.627 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -53.9 -47.69 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.43 -56.01 7.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -55.28 -35.33 64.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.72 -60.55 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.473 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.5 t -51.47 -52.3 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.61 HD23 ' CE ' ' A' ' 147' ' ' LYS . 11.4 mt -58.18 -32.68 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -13.43 62.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.6 ptm180 -95.12 -25.7 16.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.61 ' CE ' HD23 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -97.5 -51.37 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 9.7 mt-30 -64.2 -169.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.66 151.94 48.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -56.48 140.87 44.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.246 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.3 t -174.81 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.87 107.94 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.449 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.52 6.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 p -157.13 -58.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 -57.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -136.76 108.94 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.55 165.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.71 126.87 3.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.27 129.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -161.63 169.69 21.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.7 158.66 9.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.35 154.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.0 132.78 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.81 145.74 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.55 167.33 10.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.591 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -113.7 -26.28 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' A' ' 131' ' ' ARG . 5.0 m95 -97.9 -70.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.018 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLU . 29.8 tt0 -42.66 -50.07 5.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.4 t -42.81 -42.18 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 4.1 m-20 -87.34 -23.76 24.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.96 ' O ' HG12 ' A' ' 21' ' ' VAL . 2.4 tm-20 -58.81 -63.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 23' ' ' THR . 10.3 pt-20 -43.66 -39.72 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -49.66 -21.02 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.96 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.9 p -75.82 -29.16 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.583 ' HG3' HG23 ' A' ' 23' ' ' THR . 8.7 ptp85 -101.71 -38.01 8.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.583 HG23 ' HG3' ' A' ' 22' ' ' ARG . 34.0 p -76.95 -38.94 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.14 62.9 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -176.74 41.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 21' ' ' VAL . 21.7 t -101.26 63.19 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.523 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 86.3 p -124.52 157.74 34.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.661 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -151.22 165.79 16.55 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.4 m -141.73 149.92 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.742 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 91.5 mttt -100.83 132.39 46.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -78.88 117.01 19.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.5 mt -80.36 -44.72 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.98 -153.97 23.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.5 OUTLIER -139.61 134.37 31.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.586 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 54' ' ' LEU . 16.7 m -127.14 164.48 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -95.29 139.9 30.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG13 ' HB2' ' A' ' 119' ' ' CYS . 34.7 m -109.85 -166.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.61 -45.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.2 mm-40 -77.66 -43.15 32.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.677 ' C ' HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER 85.5 -2.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.28 130.01 4.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.11 128.41 1.1 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.4 mtm -57.19 -31.0 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 0.734 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -80.55 -13.29 59.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.075 . . . . 0.0 109.593 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG21 HD11 ' A' ' 108' ' ' ILE . 2.7 mm -74.6 -68.37 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 48' ' ' GLU . 15.4 p -42.97 -40.85 3.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.2 mt-10 -69.95 -42.89 72.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.4 OUTLIER -59.86 -31.29 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.31 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG1' ' HE2' ' A' ' 55' ' ' LYS . 41.1 t -48.14 -59.55 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -45.88 -53.45 9.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -45.24 -46.47 12.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 36' ' ' VAL . 14.3 mt -74.42 -26.77 60.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HE2' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -75.28 -16.43 60.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.43 -13.46 14.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -70.32 -19.12 63.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.428 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 66.74 65.5 2.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.94 -144.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -159.05 159.7 34.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.742 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.88 131.17 44.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 21.9 t -87.3 148.29 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.78 108.54 19.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.16 168.95 20.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.711 HG23 ' HG2' ' A' ' 78' ' ' GLU . 77.6 t -104.75 121.43 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 67' ' ' TRP . 2.6 tp -86.17 126.67 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.567 ' N ' HD12 ' A' ' 66' ' ' LEU . 62.5 m95 -109.3 142.53 40.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.661 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 2.2 t -127.62 119.68 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.466 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 69.6 m -142.75 165.43 27.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.72 40.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.01 -9.42 58.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 124.17 -125.16 5.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD1' ' CE2' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -131.26 172.68 11.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -158.24 105.88 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 84' ' ' ILE . 65.3 t -80.85 90.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.033 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -78.99 153.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.5 t0 -101.27 104.27 15.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.711 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.9 mt-10 -39.32 -29.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 77' ' ' ASP . 3.3 tmtm? -42.65 -76.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.2 t -118.5 16.24 13.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.593 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtp 69.81 6.23 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -55.56 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.748 HD11 ' O ' ' A' ' 85' ' ' VAL . 13.9 tp -111.09 124.23 51.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 20.5 mt -90.98 -43.9 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.748 ' O ' HD11 ' A' ' 83' ' ' LEU . 55.5 t -141.98 156.76 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.12 108.57 9.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.447 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 42.4 tp60 -116.42 150.25 38.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.559 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -117.74 138.75 51.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -53.89 -27.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -55.82 -66.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.559 ' HG2' HG23 ' A' ' 88' ' ' THR . 7.3 mmtm -47.84 -51.99 20.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.07 106.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.3 m -95.17 -46.09 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -130.98 151.99 50.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 13.3 p -156.23 120.01 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 108.318 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.43 154.3 59.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -96.13 -178.75 4.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -171.57 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -82.4 -43.08 17.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 5.9 m-85 -96.53 168.69 10.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -40.68 62.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.907 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -148.17 79.55 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.563 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -134.94 99.81 4.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 122' ' ' PHE . 18.3 t80 -111.59 135.65 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 27.9 t -143.22 148.51 36.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.502 ' CE2' ' CD1' ' A' ' 73' ' ' LEU . 6.9 p90 -135.64 151.39 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.677 HD13 ' C ' ' A' ' 41' ' ' SER . 74.3 mt -94.08 147.13 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.447 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 16.4 p -157.41 147.32 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -85.22 94.99 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.431 ' OD2' ' CG2' ' A' ' 113' ' ' THR . 1.3 t0 -39.81 113.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.12 48.55 2.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 114' ' ' THR . 0.2 OUTLIER -136.44 -61.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.391 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.689 HG22 ' HG3' ' A' ' 115' ' ' ARG . 53.1 m -81.93 -89.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.689 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER 167.91 44.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 4.3 ptp85 -152.19 -178.31 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -99.14 146.22 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 107.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.5 mm -133.52 154.96 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.656 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -119.1 132.35 56.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 106' ' ' SER . 43.5 m-70 -115.48 129.46 56.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.452 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.7 m -114.38 156.13 25.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 60.2 m-85 -147.81 116.93 6.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -89.17 96.83 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.907 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.82 160.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 30' ' ' VAL . 52.9 t -96.01 -73.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -112.36 -7.27 13.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 127' ' ' ASP . 0.0 OUTLIER -91.8 -165.56 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -133.87 153.65 51.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -53.91 -27.19 36.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.71 -67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.515 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -49.39 -38.13 27.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.175 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.42 -44.96 95.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.6 p -65.81 -20.18 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -47.81 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.14 -56.52 19.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.3 p -52.18 -34.11 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.18 -12.43 84.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.545 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.9 m -81.98 -60.88 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -50.76 -42.48 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.36 -60.64 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.051 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.62 51.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.27 -63.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.488 ' CB ' HG21 ' A' ' 89' ' ' ILE . 11.6 t -52.76 -41.94 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 147' ' ' LYS . 13.2 mt -67.27 -40.11 86.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -27.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.21 -35.71 55.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -86.24 -56.92 3.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 pt20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.19 148.34 30.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -106.65 130.0 54.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.8 t -120.14 157.44 29.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.69 98.99 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.73 8.17 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 m -159.0 -57.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.029 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.78 82.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.99 166.59 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 120.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -74.85 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -40.95 -57.98 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.03 117.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.89 89.28 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.46 119.3 24.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.76 101.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.75 154.66 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.93 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.452 ' CB ' ' HB ' ' A' ' 16' ' ' THR . 35.3 m170 65.7 139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.557 ' C ' HG22 ' A' ' 16' ' ' THR . 27.2 mm-40 -114.09 -52.43 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 130' ' ' GLU . 10.1 m95 -96.33 -57.64 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -45.47 -38.1 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.2 t -54.51 -40.18 68.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 11.5 m-20 -74.07 -9.83 59.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.2 tt0 -86.34 -34.74 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.765 ' O ' HG22 ' A' ' 23' ' ' THR . 8.0 pt-20 -82.72 -39.04 22.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -67.61 -17.54 69.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.8 p -96.02 -15.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' CZ ' ' CB ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -101.36 -23.44 14.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.765 HG22 ' O ' ' A' ' 19' ' ' GLU . 12.8 t -107.09 -36.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.08 71.82 0.72 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.57 38.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 15.9 t -98.3 70.8 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 19.8 p -119.88 138.38 53.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.39 162.25 58.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.28 4.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -144.51 178.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.788 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpp -124.49 143.96 50.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -94.93 105.27 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' A' ' 61' ' ' ALA . 78.8 mt -71.82 -45.83 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.49 -147.67 18.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -144.13 135.89 26.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.591 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.1 m -129.48 159.62 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -88.34 151.94 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 33.5 m -116.51 -165.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -144.31 -45.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.7 mm-40 -83.66 -40.18 19.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER 86.16 -2.72 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.48 134.75 7.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 156.9 121.34 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 17.5 mtm -53.32 -26.5 18.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -90.59 -19.47 23.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -67.88 -61.02 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.8 m -40.89 -62.85 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.91 -49.84 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -36.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -57.9 -59.45 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 121' ' ' CYS . 41.3 t -42.03 -65.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.371 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' VAL . 2.6 mttm -39.56 -38.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -61.23 -51.79 67.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' VAL . 3.5 mt -71.51 -8.32 53.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 101' ' ' PHE . 2.9 mtpm? -90.98 -20.09 22.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.54 -4.96 15.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -31.05 67.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.6 50.75 4.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.52 -144.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.82 179.39 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.788 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.85 143.59 43.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 36.4 t -94.68 156.24 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -97.53 103.31 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.018 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.39 168.07 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 78' ' ' GLU . 98.1 t -102.54 127.1 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.4 tp -89.18 113.0 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 40.4 m95 -94.35 144.75 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.991 HG11 ' HB1' ' A' ' 135' ' ' ALA . 90.9 t -130.2 130.26 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 72' ' ' GLY . 15.7 m -144.23 163.52 33.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.55 -30.61 54.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 88' ' ' THR . 3.9 m-20 -71.47 -15.18 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 138.01 -129.47 4.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.09 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD21 ' CG1' ' A' ' 136' ' ' VAL . 4.0 mt -125.93 173.04 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -158.1 115.85 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 84' ' ' ILE . 47.2 t -92.35 103.44 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.018 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -90.14 154.19 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.25 103.34 14.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.2 mt-10 -39.56 -29.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.1 tmtt? -43.83 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.514 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.9 t -120.75 16.71 11.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.2 mmtm 68.8 7.1 5.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.514 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.02 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -110.71 121.89 46.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.4 mt -90.16 -48.45 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.8 t -144.54 154.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.18 99.76 4.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HG2' ' CZ ' ' A' ' 107' ' ' TYR . 72.8 tp60 -97.96 137.99 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HE2' ' A' ' 91' ' ' LYS . 1.4 t -103.72 143.8 32.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.619 HG21 ' CB ' ' A' ' 143' ' ' CYS . 3.5 tp -63.17 -19.6 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.56 -67.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.653 ' HE2' HG22 ' A' ' 88' ' ' THR . 0.5 OUTLIER -49.69 -54.33 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' LYS . 54.5 t -39.82 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 91' ' ' LYS . 68.3 m -89.68 -45.6 9.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' A' ' 47' ' ' CYS . 76.3 t80 -133.24 153.36 51.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 108.328 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . . . -123.3 152.86 64.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' CB ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.06 -89.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -175.02 -165.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.56 -40.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -75.29 -46.42 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 20.1 m-85 -99.92 -171.79 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.14 -25.28 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.935 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 12.5 ptt180 -144.23 67.74 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.78 98.29 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 122' ' ' PHE . 10.9 t80 -113.17 133.95 54.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 80.9 p -145.51 143.74 30.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 87' ' ' GLN . 5.4 p90 -132.1 148.28 52.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.3 mt -88.61 144.28 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.0 p -156.25 167.25 31.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -102.63 96.64 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -44.46 128.75 6.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.68 1.6 66.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.5 p -98.66 -43.35 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.1 m -95.58 -19.61 19.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 46.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.458 ' HD2' HD11 ' A' ' 118' ' ' ILE . 0.8 OUTLIER -148.65 -175.04 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -93.71 120.61 34.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.458 HD11 ' HD2' ' A' ' 116' ' ' ARG . 5.4 mm -129.12 149.77 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.433 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 49.2 t -114.19 139.66 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.0 m-70 -118.54 130.6 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.444 ' HB3' HG22 ' A' ' 51' ' ' VAL . 3.9 m -109.92 155.86 21.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.5 m-85 -149.31 115.68 5.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.469 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -87.17 98.29 11.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.935 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.07 160.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.718 HG22 ' HD2' ' A' ' 31' ' ' LYS . 35.7 t -96.75 -59.64 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 40.89 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.38 -178.25 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.465 HG22 ' HD3' ' A' ' 131' ' ' ARG . 5.5 t -114.5 142.24 46.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -41.95 -32.02 0.92 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.39 -63.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.342 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.465 ' HD3' HG22 ' A' ' 128' ' ' THR . 2.1 mpp_? -52.66 -36.76 57.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HA2' ' A' ' 129' ' ' GLY . 4.5 mp -62.95 -35.82 81.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 p -79.93 -22.54 42.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 47.6 t-80 -69.65 -8.06 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.991 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -96.78 -60.0 1.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.641 ' CG1' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -50.82 -45.54 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -67.66 -37.36 89.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.5 m -66.79 -61.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -57.8 -59.03 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.27 61.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -74.01 -55.73 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.619 ' CB ' HG21 ' A' ' 89' ' ' ILE . 18.4 t -56.23 -51.18 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 148' ' ' GLN . 13.0 mt -54.15 -48.0 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -23.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.31 -29.08 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.487 ' HE3' HD23 ' A' ' 144' ' ' LEU . 38.8 mtmt -87.24 -59.05 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.555 ' CG ' HD22 ' A' ' 144' ' ' LEU . 3.5 mt-30 -57.74 147.11 28.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 148' ' ' GLN . 21.6 mtmt -40.62 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -40.79 141.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 16.0 m -169.92 73.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.63 158.95 25.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.4 22.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.422 ' O ' ' NH1' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -123.25 -65.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 5.0 t -172.08 -60.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -143.01 132.45 23.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 157.59 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.76 146.71 11.72 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.31 103.42 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 0.804 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m 56.41 168.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.9 169.2 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.761 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -104.29 146.63 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -177.58 155.11 1.08 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -174.48 1.95 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 57.4 m170 -76.91 179.46 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.619 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.616 ' C ' HG22 ' A' ' 16' ' ' THR . 16.2 mm-40 80.82 -49.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 29.8 m95 -91.75 -62.77 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.025 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.4 tt0 -46.13 -44.57 15.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.616 HG22 ' C ' ' A' ' 13' ' ' GLN . 2.9 t -46.26 -45.64 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.542 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.7 tt0 -65.71 -20.88 66.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' THR . 14.2 mt-10 -94.64 -58.13 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -47.74 -20.48 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 18' ' ' GLU . 9.8 p -78.98 -37.77 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -92.2 -39.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 22' ' ' ARG . 26.9 p -74.97 -40.2 60.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.0 60.17 0.61 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -172.65 42.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.266 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.435 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 29.2 t -104.83 64.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.572 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 4.5 p -120.71 143.95 48.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.55 163.0 50.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.22 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.711 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -143.47 179.38 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.5 mppp? -121.14 137.65 54.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 3.7 t80 -88.53 104.41 16.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 61' ' ' ALA . 95.7 mt -74.12 -44.05 55.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.55 -143.14 14.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -147.18 154.64 41.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.749 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.1 m -141.17 169.56 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -94.67 138.87 31.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -110.62 -178.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.54 -44.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' SER . 3.6 mm-40 -81.84 -45.57 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.1 p 85.87 2.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.26 121.36 2.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.76 120.42 0.52 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mtm -56.6 -21.8 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -91.61 -17.9 24.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' CYS . 3.6 mm -66.78 -60.96 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.674 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.9 p -40.92 -54.14 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.313 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.71 -55.52 33.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -30.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -64.04 -60.84 2.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' ALA . 61.1 t -39.84 -65.11 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.55 -57.0 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.749 HD21 ' CG1' ' A' ' 36' ' ' VAL . 9.5 mt -63.4 -13.5 40.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -86.94 -16.05 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.63 -1.14 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -30.33 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.9 49.24 6.55 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 3.5 ttmm -115.15 -38.16 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 73.06 158.59 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.808 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -86.36 171.84 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 23.8 t -126.72 161.19 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -93.16 101.49 13.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.016 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.25 167.65 23.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.667 HG23 ' HG2' ' A' ' 78' ' ' GLU . 76.7 t -104.3 128.38 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -90.44 114.56 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 37.2 m95 -97.6 145.86 25.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG11 ' C ' ' A' ' 135' ' ' ALA . 39.5 t -129.32 127.12 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 m -143.94 157.71 44.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.64 -22.21 32.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -4.53 57.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.81 -140.8 12.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.15 174.76 6.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtt85 -158.62 111.27 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 84' ' ' ILE . 57.8 t -85.89 95.46 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.016 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -83.1 154.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.645 ' HA ' HD11 ' A' ' 84' ' ' ILE . 53.1 t0 -102.22 104.07 14.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.667 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.1 -30.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -41.86 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 8.1 t -123.22 18.79 9.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.371 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.0 mmtp 69.11 7.01 5.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 27.8 t0 -53.48 179.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -105.56 122.06 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.645 HD11 ' HA ' ' A' ' 77' ' ' ASP . 40.5 mt -89.81 -50.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.1 t -142.39 154.26 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -131.32 96.51 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -101.06 141.71 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -102.02 145.2 29.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 110.368 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.587 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -60.79 -30.06 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -53.93 -67.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mptp? -44.84 -53.68 7.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 91' ' ' LYS . 75.9 t -39.3 99.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LYS . 96.1 p -80.31 -49.36 11.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 27.1 t80 -143.98 161.47 38.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.7 p -156.4 118.52 3.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -125.1 155.1 71.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 104' ' ' ALA . 7.6 p-10 -130.19 161.38 31.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -127.7 -43.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -59.99 -48.74 80.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -88.78 177.38 6.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.16 -31.69 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.912 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.7 ptt180 -142.61 74.54 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.612 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.43 103.16 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 122' ' ' PHE . 24.7 t80 -111.32 125.41 53.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.2 t -135.88 153.75 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -148.2 147.33 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 41' ' ' SER . 9.4 mt -88.29 146.35 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 p -157.59 167.03 31.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.48 91.82 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -43.62 147.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -112.04 67.94 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 114' ' ' THR . 1.4 t -178.65 -58.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.547 ' H ' HG23 ' A' ' 113' ' ' THR . 18.2 m -68.27 -14.68 63.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.09 41.37 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.465 ' HD2' ' CG2' ' A' ' 114' ' ' THR . 9.8 ptm180 -153.25 -172.26 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -92.01 136.8 32.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 107.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.4 mm -133.55 151.7 33.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 19.7 t -118.02 143.47 46.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 30.7 m-70 -116.44 161.01 19.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.462 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 4.0 m -145.48 152.75 40.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 50.6 m-85 -149.2 121.94 8.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.612 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.91 94.64 9.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.912 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.46 143.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.711 HG23 ' CA ' ' A' ' 30' ' ' VAL . 43.3 t -76.52 -62.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 41.72 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.9 -171.61 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 t -127.17 142.2 51.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.86 5.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -42.38 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 0.9 OUTLIER -67.67 -49.97 60.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.561 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -56.86 -31.23 64.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.578 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 58.8 t-80 -74.61 -57.46 3.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.597 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.454 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -48.04 -54.01 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.2 p -61.6 -34.54 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.04 -6.98 88.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 93.3 m -87.41 -58.78 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.498 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -53.09 -38.91 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.52 -56.21 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.12 64.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -73.7 -63.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.587 ' CB ' HG21 ' A' ' 89' ' ' ILE . 37.9 t -49.93 -43.26 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.484 HD22 ' HD2' ' A' ' 147' ' ' LYS . 15.0 mt -69.1 -37.01 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -18.21 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -86.03 -34.32 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.484 ' HD2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -89.86 -51.01 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 6.2 pt20 -109.16 172.78 6.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -110.42 142.2 42.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 161.61 27.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.27 117.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 172.49 173.81 39.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 177.63 8.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 31.4 p -148.19 -55.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 61.4 p -155.22 105.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -163.52 169.48 18.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 0.802 . . . . 0.0 109.945 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -108.43 -59.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.52 108.14 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 62.12 154.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.774 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 -56.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.67 -141.55 16.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.53 158.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 0.802 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -98.01 75.79 2.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 58.07 157.69 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.6 m170 60.86 178.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.601 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.608 ' C ' HG22 ' A' ' 16' ' ' THR . 38.0 mm-40 -139.1 -52.28 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 15.4 m95 -92.78 -63.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 108.002 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.9 tt0 -43.83 -43.77 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.608 HG22 ' C ' ' A' ' 13' ' ' GLN . 3.7 t -44.63 -27.6 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.455 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 90.4 m-20 -78.25 -42.75 30.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' C ' HG12 ' A' ' 21' ' ' VAL . 9.4 mt-10 -54.37 -19.51 5.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 22' ' ' ARG . 26.1 mt-10 -94.31 -68.79 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -41.13 -26.26 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.5 p -71.68 -51.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HG23 ' A' ' 23' ' ' THR . 10.8 ptt85 -75.21 -41.23 58.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.555 HG23 ' HG3' ' A' ' 22' ' ' ARG . 30.1 p -75.24 -69.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 139.22 55.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -164.01 36.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 37.6 t -101.74 61.79 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 23.8 p -124.28 144.57 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.52 164.26 41.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 111.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.807 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.4 m -141.47 -175.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.852 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.2 mtpp -127.97 138.38 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.78 108.62 19.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 61' ' ' ALA . 97.0 mt -79.13 -38.68 35.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.0 -150.25 19.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.6 OUTLIER -145.61 139.17 26.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.624 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.75 ' CG1' HD21 ' A' ' 54' ' ' LEU . 10.5 m -125.75 171.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -96.13 139.52 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 119' ' ' CYS . 28.8 m -98.82 168.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -125.94 -0.79 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.826 ' CD ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -132.93 -45.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.802 ' C ' HD13 ' A' ' 108' ' ' ILE . 1.4 p 84.86 5.5 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.48 126.5 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.93 125.71 1.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.7 mtm -63.22 -26.4 68.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -75.08 -11.23 60.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.826 HD12 ' CD ' ' A' ' 40' ' ' GLU . 7.5 mm -76.56 -56.75 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.684 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 45.4 m -40.33 -59.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.256 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.21 -55.93 25.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -29.0 2.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -67.81 -63.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 101' ' ' PHE . 63.3 t -41.2 -65.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -42.08 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -55.81 28.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.75 HD21 ' CG1' ' A' ' 36' ' ' VAL . 10.8 mt -64.11 -17.64 63.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.75 -17.03 52.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.53 -3.72 12.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 54' ' ' LEU . 3.8 t -73.38 -31.06 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.84 55.72 4.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.056 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 2.1 ttmm -122.59 -46.98 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER 84.91 167.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.852 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -96.24 160.92 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 7.5 t -116.32 160.77 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -93.45 99.43 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.962 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.22 167.85 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 57.9 t -103.33 131.06 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HB2' HG21 ' A' ' 30' ' ' VAL . 10.0 tp -91.89 114.89 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 44.7 m95 -98.6 141.8 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.458 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 2.5 t -126.72 129.46 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.521 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 15.0 m -144.52 153.45 41.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.33 -21.11 33.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.75 -2.27 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 69' ' ' SER . . . 129.73 -155.84 21.11 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -111.73 175.11 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -158.11 114.58 2.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG12 HD12 ' A' ' 84' ' ' ILE . 61.5 t -92.42 97.25 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.962 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -86.86 154.53 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 64.5 t0 -101.62 103.78 14.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.5 mt-10 -38.81 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.36 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.0 t -118.7 16.37 13.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.559 ' C ' HG13 ' A' ' 76' ' ' VAL . 27.4 mmtm 68.61 7.74 6.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.509 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.31 -173.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' CD2' ' HD3' ' A' ' 74' ' ' ARG . 1.7 tm? -110.99 120.56 42.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 48.2 mt -88.66 -48.34 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG23 HG22 ' A' ' 84' ' ' ILE . 71.9 t -143.13 156.14 17.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.13 91.76 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 7.4 tm0? -88.97 146.34 24.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.623 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -116.36 133.08 56.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.7 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -53.24 -20.31 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -61.29 -69.35 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 88' ' ' THR . 30.6 mmtt -42.78 -59.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 98.7 t -38.48 138.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.83 -43.45 1.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -139.8 151.05 45.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.36 123.52 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.253 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.24 153.29 76.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.437 1.756 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -129.04 167.84 16.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.49 -44.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -58.71 -48.78 79.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 51' ' ' VAL . 4.3 m-85 -91.02 175.64 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.87 -24.08 12.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.836 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -144.32 71.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.51 102.79 5.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 122' ' ' PHE . 13.0 t80 -111.92 131.7 55.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 120' ' ' HIS . 1.1 t -141.62 159.61 41.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.7 p90 -152.27 152.16 31.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 41' ' ' SER . 70.5 mt -92.86 150.11 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.3 p -157.45 168.82 26.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 111' ' ' ASP . 59.2 ttt180 -95.18 112.05 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 110' ' ' ARG . 8.8 t0 -39.46 150.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.37 43.87 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -144.63 -45.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -113.85 -133.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.56 26.98 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -110.51 -168.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.5 m95 -115.48 165.59 12.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 8.8 mm -137.98 150.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.566 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -118.7 125.6 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.493 ' O ' ' CB ' ' A' ' 106' ' ' SER . 21.2 m-70 -107.51 149.43 27.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.501 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 11.9 m -135.36 151.99 51.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 108.342 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 121' ' ' CYS . 36.0 m-85 -149.13 122.84 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.29 95.03 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.836 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.32 151.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.511 HG23 ' CA ' ' A' ' 30' ' ' VAL . 24.8 t -84.44 -61.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -134.24 45.93 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -145.2 -175.01 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.41 HG22 ' NH1' ' A' ' 131' ' ' ARG . 9.6 t -122.6 139.48 53.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.56 -43.45 3.89 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.65 -54.66 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 110.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 14' ' ' TRP . 72.9 mtt85 -61.64 -41.17 97.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 5.0 mp -62.72 -35.45 79.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 p -70.1 -17.75 63.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.534 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 19.8 t-80 -82.04 -62.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -42.29 -52.38 4.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.5 p -56.99 -40.52 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -73.49 -13.67 79.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.56 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 56.2 m -77.85 -54.03 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 69' ' ' SER . . . -61.12 -54.96 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -49.47 -53.39 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.56 -39.97 81.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.79 -56.98 9.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.7 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -54.38 -47.87 72.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 147' ' ' LYS . 11.7 mt -60.33 -49.29 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.54 -50.07 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -49.39 -43.54 44.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.0 OUTLIER -81.76 -57.08 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.74 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -91.25 -177.45 4.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -71.86 153.89 41.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.54 152.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -124.45 154.57 17.97 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -176.08 2.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 156' ' ' GLY . 3.3 t -126.25 -54.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 3.4 t 68.31 -69.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 154' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -163.89 168.65 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -139.83 169.28 18.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.84 127.95 5.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -176.19 172.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -63.15 157.15 23.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.05 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.97 -76.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.39 113.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.33 178.3 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.39 161.55 35.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.0 OUTLIER 172.64 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.619 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 54.6 mt-30 -70.65 93.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 6.9 m0 87.65 -24.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.035 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 1.9 tt0 -66.25 -32.1 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 t -64.49 -21.94 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 4.9 m-20 -94.42 -14.67 25.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.736 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.7 mt-10 -73.48 -36.97 65.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' GLY . 10.0 pt-20 -69.45 -45.75 68.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -52.39 -32.57 37.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 18' ' ' GLU . 8.5 p -86.94 -17.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 23' ' ' THR . 1.3 ptt180 -85.6 -35.59 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 24' ' ' GLY . 10.2 t -105.12 -53.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' N ' HG23 ' A' ' 23' ' ' THR . . . 134.06 68.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.65 44.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 68' ' ' VAL . 43.7 t -99.96 63.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 2.4 p -114.37 151.19 33.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -145.43 165.11 22.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 117.75 5.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.5 m -142.47 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 5.4 mtpt -129.78 138.25 50.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.62 105.65 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 61' ' ' ALA . 91.4 mt -73.42 -42.55 61.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.1 19.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -137.41 138.46 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.566 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.693 ' CG1' HD21 ' A' ' 54' ' ' LEU . 14.6 m -129.91 154.38 40.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' CD ' ' NE ' ' A' ' 116' ' ' ARG . 8.9 tt0 -88.79 125.73 35.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.6 m -83.34 -179.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -141.88 13.45 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' HG3' HD11 ' A' ' 46' ' ' ILE . 6.1 mm-40 -139.7 -46.31 0.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER 86.62 -4.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -160.97 125.14 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.42 127.24 0.92 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -64.6 -27.24 68.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -82.64 -13.26 56.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.531 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD11 ' HG3' ' A' ' 40' ' ' GLU . 5.3 mm -73.49 -55.52 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 84.7 m -41.23 -50.4 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 50' ' ' ALA . 1.2 mp0 -67.32 -56.17 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -29.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.99 -57.5 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 20.1 t -44.94 -60.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.46 -32.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 8.5 ttt-85 -65.88 -57.92 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.693 HD21 ' CG1' ' A' ' 36' ' ' VAL . 8.2 mt -64.6 -16.78 63.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -82.45 -17.21 46.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.92 -7.11 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -78.76 -18.02 54.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.78 59.7 5.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.5 tttt -125.09 -154.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -152.85 178.31 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.887 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -115.04 146.3 41.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 19.8 t -98.99 160.37 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 mmpt? -98.46 99.92 11.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.0 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.45 168.06 21.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.649 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.4 t -103.14 127.58 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.1 tp -90.83 114.0 26.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 33.7 m95 -96.14 149.31 21.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 73' ' ' LEU . 3.8 t -136.21 123.91 34.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -144.79 166.05 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -12.0 60.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.19 -142.85 13.9 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD21 HG23 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -115.15 172.17 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -158.56 113.65 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 84' ' ' ILE . 92.5 t -86.96 91.95 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.0 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.9 t -80.75 153.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.661 ' HA ' HD11 ' A' ' 84' ' ' ILE . 51.7 t0 -101.58 103.88 14.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.649 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -38.82 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -41.41 -74.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 6.3 t -122.65 18.41 10.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.608 ' C ' HG13 ' A' ' 76' ' ' VAL . 16.5 mmtp 69.74 6.78 5.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.501 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 26.5 t70 -57.95 170.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 27.8 tp -96.8 125.78 41.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 77' ' ' ASP . 38.9 mt -91.07 -47.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 83' ' ' LEU . 52.5 t -140.78 160.3 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.37 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -128.0 113.75 16.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.497 ' CD ' ' N ' ' A' ' 88' ' ' THR . 5.4 tm0? -118.54 137.9 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.497 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.5 OUTLIER -107.29 138.59 43.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.562 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.7 tp -56.32 -28.65 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -55.83 -68.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.3 OUTLIER -44.67 -53.88 6.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG23 ' NE2' ' A' ' 87' ' ' GLN . 74.6 t -39.13 98.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.0 t -78.45 -47.8 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.04 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -142.61 152.96 43.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.3 p -152.67 116.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.15 156.87 73.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 3.8 p-10 -126.42 -178.88 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.78 -45.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -58.11 -45.35 87.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 7.6 m-85 -92.75 178.63 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.23 -26.38 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.893 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -147.36 69.65 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.748 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -135.46 101.5 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 122' ' ' PHE . 7.1 t80 -112.71 127.05 56.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -138.31 153.1 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -142.61 153.78 43.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -89.24 145.54 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.16 139.15 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -86.08 93.64 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -47.88 153.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.25 -71.11 0.65 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.2 p -42.79 -38.3 2.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 116' ' ' ARG . 90.6 m -79.18 -40.3 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 114' ' ' THR . 3.3 mtp180 82.36 44.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.647 ' HG2' HG22 ' A' ' 114' ' ' THR . 2.1 ptp85 -158.65 -178.91 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -91.26 130.61 37.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.021 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' A' ' 116' ' ' ARG . 13.1 mm -130.62 145.78 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 12.9 t -116.74 134.22 55.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 65.0 m-70 -110.67 131.72 54.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.448 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 9.0 m -113.18 148.96 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.425 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 42.5 m-85 -143.46 123.03 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.748 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -95.14 97.18 9.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.893 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.15 157.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.534 HG23 ' CA ' ' A' ' 30' ' ' VAL . 47.0 t -93.27 -62.56 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -133.07 56.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.61 165.97 18.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.474 HG22 ' HD3' ' A' ' 131' ' ' ARG . 6.4 t -96.71 144.61 26.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -47.16 -26.54 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.155 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -51.86 -62.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.328 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.474 ' HD3' HG22 ' A' ' 128' ' ' THR . 0.2 OUTLIER -48.57 -45.28 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 6.2 mp -59.06 -53.8 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 136' ' ' VAL . 1.3 p -61.66 -23.03 65.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.08 -28.76 48.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.568 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -79.61 -53.98 6.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 133' ' ' SER . 14.8 p -57.06 -35.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.0 -8.35 87.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.494 ' HB3' HG11 ' A' ' 21' ' ' VAL . 1.3 m -88.01 -52.42 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.415 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -57.0 -38.84 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.471 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -57.14 -52.06 66.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.67 -33.68 68.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.44 -60.57 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.562 ' CB ' HG21 ' A' ' 89' ' ' ILE . 33.7 t -52.79 -43.11 65.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 147' ' ' LYS . 15.3 mt -68.73 -37.14 79.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -26.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -32.36 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 144' ' ' LEU . 8.3 mtpt -85.02 -57.69 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.7 OUTLIER -112.3 -175.81 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.57 138.5 43.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.88 160.67 29.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.94 160.73 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -55.37 146.53 29.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.8 -59.13 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 44.6 t -174.89 108.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.45 157.63 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.7 -59.17 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 135.31 3.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 p -147.05 162.3 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.008 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.34 148.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.62 169.18 26.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 72.86 117.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 125.25 37.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -114.69 152.74 46.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.02 4.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 11.0 m-70 -79.69 127.19 31.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.576 ' H ' HG22 ' A' ' 16' ' ' THR . 9.0 mt-30 160.32 -62.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.251 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 5.2 m95 -88.87 -62.39 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 18' ' ' GLU . 1.2 tt0 -47.92 -50.09 27.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 13' ' ' GLN . 5.6 t -51.51 -23.64 4.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -95.22 -22.86 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 21' ' ' VAL . 5.6 tt0 -71.45 -22.22 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 23' ' ' THR . 7.0 pt-20 -93.21 -43.29 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -56.21 -14.28 8.3 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 18' ' ' GLU . 7.1 p -84.84 -27.22 6.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' ' 23' ' ' THR . 13.4 ptm180 -102.02 -38.89 7.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 19' ' ' GLU . 27.2 p -78.54 -52.49 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.426 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.54 62.71 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -174.63 46.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.802 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 35.3 t -111.18 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 25.0 p -122.21 141.77 51.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -136.98 164.45 42.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 116.32 4.55 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CA ' HG23 ' A' ' 125' ' ' VAL . 1.3 m -141.71 178.9 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.881 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 7.2 mtpt -122.94 146.01 47.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -98.22 107.06 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 123' ' ' MET . 30.6 mt -75.43 -57.65 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.53 -152.52 24.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -133.68 133.9 42.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.627 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.648 ' CG1' HD21 ' A' ' 54' ' ' LEU . 20.3 m -121.74 157.19 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -88.18 137.62 32.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 41' ' ' SER . 27.4 m -107.82 -178.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -44.83 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.64 -29.37 19.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . 0.9 OUTLIER 66.72 9.09 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 131.26 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.3 124.06 1.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.1 mtm -56.23 -30.12 61.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -83.69 -16.62 44.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.602 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.7 mm -69.05 -53.52 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 74.2 m -40.11 -56.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.26 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' C ' ' N ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -55.98 -55.83 28.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -28.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.51 -62.46 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 54' ' ' LEU . 20.1 t -44.84 -64.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -38.36 -54.18 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -44.25 -37.99 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD21 ' CG1' ' A' ' 36' ' ' VAL . 11.0 mt -80.25 -32.72 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -66.45 -20.97 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.77 -18.9 16.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -73.45 -14.06 61.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.418 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.96 54.46 37.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -105.88 -163.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -138.88 161.72 36.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.881 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -106.59 143.83 34.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 18.6 t -100.14 159.37 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.8 mtpt -98.65 104.75 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.23 168.29 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG23 ' HG2' ' A' ' 78' ' ' GLU . 88.5 t -102.16 124.84 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HB2' HG21 ' A' ' 30' ' ' VAL . 7.7 tp -88.21 117.15 26.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 43.8 m95 -98.01 146.31 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 6.5 t -133.6 122.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HA ' HG23 ' A' ' 21' ' ' VAL . 19.8 m -143.84 157.08 44.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -21.11 20.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.99 -4.31 56.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.05 -141.8 12.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.97 173.77 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.471 ' HD3' HD22 ' A' ' 83' ' ' LEU . 5.8 mtt180 -158.55 112.8 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 84' ' ' ILE . 76.8 t -88.71 91.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.024 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.2 t -80.0 152.86 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 84' ' ' ILE . 30.7 t0 -101.37 105.62 16.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.38 -29.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.07 -76.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.52 ' CG2' ' HB2' ' A' ' 82' ' ' ASP . 5.7 t -119.85 18.6 12.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.394 1.059 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' C ' HG13 ' A' ' 76' ' ' VAL . 6.9 mmmm 68.5 8.27 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.52 ' HB2' ' CG2' ' A' ' 80' ' ' THR . 36.3 t70 -59.4 170.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 85' ' ' VAL . 19.0 tp -96.08 125.37 40.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.7 mt -91.91 -44.94 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.696 ' O ' HD11 ' A' ' 83' ' ' LEU . 47.7 t -140.66 156.69 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.38 109.37 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -119.83 140.58 50.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.767 HG22 ' HE2' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -104.31 142.01 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.396 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.663 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.71 -18.63 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -66.61 -66.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.767 ' HE2' HG22 ' A' ' 88' ' ' THR . 2.2 mppt? -44.75 -53.52 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 74.1 t -38.09 105.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -79.63 -50.76 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -153.83 159.4 41.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.8 p -147.89 128.02 13.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.293 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.43 156.67 77.65 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -163.51 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -128.49 -179.41 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -162.46 28.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.423 ' ND2' ' HE3' ' A' ' 52' ' ' LYS . 10.8 m-80 -127.15 -45.62 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -96.12 -176.25 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -83.15 -41.69 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 10.0 ptp180 -152.93 79.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.21 102.8 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 18.0 t80 -111.78 140.78 46.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.1 m -149.24 159.06 44.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.964 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 4.6 p90 -146.58 150.74 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' SER . 6.9 mt -91.5 148.75 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.7 p -157.42 157.23 33.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 97.27 11.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 17.2 t0 -47.69 161.86 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -109.33 -51.3 0.67 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 114' ' ' THR . 8.1 t -50.3 -54.01 24.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.777 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.518 ' N ' HG23 ' A' ' 113' ' ' THR . 38.9 m -98.23 9.0 44.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.457 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 114' ' ' THR . 4.5 ptm180 34.14 38.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.516 ' NH1' HG21 ' A' ' 114' ' ' THR . 1.2 ptp85 -116.02 -169.68 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -96.57 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 7.1 mm -122.48 147.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 37.5 t -119.71 135.71 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 51.0 m-70 -110.17 137.87 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 22.2 m -119.24 153.96 34.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 71.4 m-85 -148.59 117.63 6.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.637 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.74 100.61 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 111.061 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -46.99 150.95 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.485 HG23 ' CA ' ' A' ' 30' ' ' VAL . 38.9 t -86.25 -63.73 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -131.09 41.61 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.52 170.64 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.8 t -103.77 147.39 27.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.77 -41.51 3.44 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 2.1 tt0 -47.65 -69.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 130' ' ' GLU . 9.5 mtm180 -36.43 -42.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 136' ' ' VAL . 5.3 mp -68.34 -52.52 32.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 130' ' ' GLU . 26.2 p -59.7 -18.24 40.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -78.94 -57.69 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 138' ' ' CYS . . . -50.63 -60.13 3.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 132' ' ' LEU . 10.8 p -51.24 -36.52 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.85 -16.32 78.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' ALA . 84.3 m -77.48 -55.25 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -55.93 -49.96 72.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.79 -57.18 7.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' GLU . . . -55.8 -38.0 69.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.2 -62.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.663 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.2 t -51.92 -43.35 63.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 147' ' ' LYS . 24.8 mt -67.15 -39.13 86.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ALA . 0.2 OUTLIER -46.26 -29.66 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.28 -37.89 71.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.9 mtmt -87.82 -57.19 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pt20 -104.75 172.09 6.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -137.32 55.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' HB2' ' NE2' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -92.7 151.58 19.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -81.48 -54.71 5.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 151' ' ' SER . . . 37.36 84.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 79.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -58.2 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -112.91 91.9 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -169.85 169.18 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 121.56 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.8 p -130.3 169.47 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 144.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.48 140.12 3.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.17 170.89 15.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -145.52 80.5 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -131.98 150.27 75.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.71 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.447 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 43.6 m80 -73.84 173.7 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.539 ' C ' HG22 ' A' ' 16' ' ' THR . 0.4 OUTLIER 82.07 -49.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 11.1 m95 -92.24 -56.85 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 107.949 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.63 -42.77 25.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 13' ' ' GLN . 2.0 t -55.56 -27.08 47.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -81.27 -6.92 59.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' C ' HG12 ' A' ' 21' ' ' VAL . 19.0 mt-10 -96.26 -22.63 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.876 ' O ' HG22 ' A' ' 23' ' ' THR . 6.9 pt-20 -93.36 -42.5 9.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -67.99 -6.87 47.61 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' C ' ' A' ' 18' ' ' GLU . 7.1 p -98.88 -26.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -94.46 -21.62 18.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.876 HG22 ' O ' ' A' ' 19' ' ' GLU . 9.9 t -103.6 -33.45 8.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.16 73.02 1.0 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.754 ' HE2' HG21 ' A' ' 23' ' ' THR . 0.0 OUTLIER 179.56 37.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 0.797 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 11.2 t -101.09 70.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 8.1 p -124.67 149.38 47.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -140.69 166.8 20.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.773 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.2 m -144.5 150.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 90.1 mttt -100.36 137.88 38.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -86.23 114.88 23.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 61' ' ' ALA . 75.2 mt -78.64 -41.01 32.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.1 -143.67 14.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.57 135.42 23.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.56 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.729 HG13 HD21 ' A' ' 54' ' ' LEU . 12.5 m -130.44 151.78 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.6 tt0 -82.18 113.15 19.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 119' ' ' CYS . 27.4 m -58.03 -166.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.43 -43.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -97.18 -29.8 13.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.8 m 76.15 1.68 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.51 129.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.77 136.57 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG2' ' HB1' ' A' ' 96' ' ' ALA . 7.1 mtm -64.38 -34.62 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.972 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.605 ' CD2' HD13 ' A' ' 46' ' ' ILE . 47.9 p-80 -61.59 -27.71 68.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.605 HD13 ' CD2' ' A' ' 45' ' ' HIS . 16.4 mm -56.41 -53.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 t -44.26 -62.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 0.6 OUTLIER -54.56 -53.28 56.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.02 -37.68 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -61.09 -65.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 104' ' ' ALA . 53.4 t -41.38 -60.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HE3' ' ND2' ' A' ' 100' ' ' ASN . 0.2 OUTLIER -44.82 -42.6 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.3 ttt-85 -57.25 -54.41 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.729 HD21 HG13 ' A' ' 36' ' ' VAL . 9.4 mt -64.44 -28.03 69.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -74.29 -18.49 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.3 -10.61 18.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -74.66 -25.52 59.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.94 59.51 3.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -129.4 -154.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -146.67 175.06 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 33' ' ' LEU . . . -110.89 133.45 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 25.0 t -86.79 154.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.79 108.75 21.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.025 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.2 169.11 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG23 ' HG2' ' A' ' 78' ' ' GLU . 56.9 t -104.29 120.07 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.4 tp -86.59 117.79 25.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.9 m95 -99.5 146.97 25.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 108.027 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -129.9 123.06 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.2 m -143.24 159.18 42.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.14 -25.19 45.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -78.1 -6.14 53.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.22 -137.65 10.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.8 174.49 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.519 ' HD3' HD22 ' A' ' 83' ' ' LEU . 14.2 mtt180 -158.25 105.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG12 HD12 ' A' ' 84' ' ' ILE . 98.4 t -80.94 90.6 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.025 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.8 t -79.46 152.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.706 ' HA ' HD11 ' A' ' 84' ' ' ILE . 31.7 t0 -101.17 103.13 14.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.724 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.1 mt-10 -38.37 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -43.21 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.07 16.3 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.62 ' C ' HG13 ' A' ' 76' ' ' VAL . 21.3 mmtm 68.92 6.85 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 83' ' ' LEU . 5.4 t70 -59.7 168.92 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.678 HD11 ' O ' ' A' ' 85' ' ' VAL . 20.2 tp -94.66 123.06 37.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 77' ' ' ASP . 29.6 mt -88.26 -44.36 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.678 ' O ' HD11 ' A' ' 83' ' ' LEU . 48.8 t -142.09 156.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.47 104.43 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' THR . 30.6 tp60 -110.76 147.62 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.563 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -111.64 137.88 48.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.489 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.3 tp -54.0 -26.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -55.42 -66.46 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.563 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.2 mmtm -47.32 -45.96 24.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -50.13 96.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -86.83 -46.3 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 84.2 t80 -136.41 151.39 49.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -155.95 114.25 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.59 ' HB1' ' HG2' ' A' ' 44' ' ' MET . . . -124.49 156.28 67.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 104' ' ' ALA . 2.0 p-10 -122.64 178.78 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -147.96 -47.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 6.8 m-20 -55.17 -51.1 67.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -88.28 -168.84 2.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.41 -37.62 4.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.936 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -135.42 71.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.662 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.56 99.75 4.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 122' ' ' PHE . 19.6 t80 -111.29 142.95 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 45.1 t -151.2 163.14 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 p90 -150.3 140.59 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' HA ' ' A' ' 41' ' ' SER . 11.2 mt -87.24 145.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.5 p -156.85 165.84 35.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.34 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -107.25 96.59 6.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.92 147.57 6.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.91 -33.08 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 p -66.55 -37.97 86.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.502 HG22 ' HG2' ' A' ' 116' ' ' ARG . 50.2 m -99.02 -27.78 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 114' ' ' THR . 0.0 OUTLIER 78.13 45.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.772 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.4 ptp85 -155.76 170.63 21.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -80.89 129.83 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.014 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 ' HD2' ' A' ' 116' ' ' ARG . 21.5 mm -127.96 127.82 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.568 ' HB2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -97.1 124.98 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 108.252 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' SER . 34.9 m-70 -109.41 116.43 31.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.566 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.6 m -104.31 154.8 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 108.289 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 105' ' ' PHE . 88.8 m-85 -149.47 118.22 6.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.662 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -87.56 96.29 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.41 150.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 30' ' ' VAL . 59.7 t -82.83 -68.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -128.25 45.53 2.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' OD1' ' NH2' ' A' ' 131' ' ' ARG . 1.9 m-20 -146.82 173.01 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 130' ' ' GLU . 9.8 t -110.13 144.72 38.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.55 -42.61 3.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.537 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -38.48 -63.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.46 ' CZ ' ' HG2' ' A' ' 13' ' ' GLN . 37.5 mtp180 -50.19 -49.94 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.435 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 5.3 mp -56.38 -38.24 71.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -19.18 63.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 19.2 t-80 -80.29 -60.93 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.589 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -44.07 -53.85 6.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 132' ' ' LEU . 13.8 p -59.19 -33.79 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -80.71 -7.76 88.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 85.0 m -85.28 -60.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -49.02 -44.23 41.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.58 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.96 -29.04 4.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -78.46 -69.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.489 ' CB ' HG21 ' A' ' 89' ' ' ILE . 23.9 t -44.72 -44.01 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 108.299 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.767 HD22 ' HE2' ' A' ' 147' ' ' LYS . 12.4 mt -67.4 -40.23 85.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 142' ' ' ALA . 0.0 OUTLIER -50.6 -20.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -83.71 -25.25 30.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.767 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -100.2 -45.25 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.442 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 0.9 OUTLIER -109.52 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.92 173.69 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -117.0 134.44 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.26 96.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.9 113.85 0.58 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.2 13.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 79.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 97.3 p -106.71 80.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.69 146.39 50.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 p -142.05 -80.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -50.14 155.94 2.4 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.8 OUTLIER 163.99 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.04 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 155' ' ' SER . 0.1 OUTLIER -63.11 128.88 37.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.89 -96.2 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.72 152.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 71.1 m -147.13 73.87 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 56.05 163.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 15' ' ' GLN . 0.1 OUTLIER 177.14 -166.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' NE2' ' CZ ' ' A' ' 131' ' ' ARG . 3.1 tp-100 -109.1 -36.14 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 10.1 m95 -111.4 -47.62 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' ' CB ' ' A' ' 12' ' ' HIS . 3.8 tt0 -55.1 -36.71 65.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -58.78 -23.99 61.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.65 -9.62 48.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' C ' HG12 ' A' ' 21' ' ' VAL . 21.5 tt0 -94.88 -14.5 24.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 23' ' ' THR . 8.4 pt-20 -95.2 -40.54 9.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.419 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -70.82 -4.18 53.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 HG12 ' C ' ' A' ' 18' ' ' GLU . 14.9 p -97.43 -18.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 23' ' ' THR . 16.2 ptt85 -97.99 -24.44 15.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 t -104.87 -34.58 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.43 67.37 0.72 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.767 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -171.09 33.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' VAL . 18.0 t -99.51 78.75 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 33.3 p -131.39 144.81 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HZ ' HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -137.71 163.81 45.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.944 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.37 4.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 66' ' ' LEU . 2.2 m -141.65 178.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.863 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 1.1 mtpt -123.96 143.75 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -95.79 104.7 16.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.52 -47.29 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.03 -156.97 26.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -130.08 139.47 50.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 109.596 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.703 ' CG1' HD21 ' A' ' 54' ' ' LEU . 24.4 m -128.86 162.47 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -89.81 139.58 30.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.3 m -110.28 -177.22 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -134.2 -44.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' SER . 5.2 mm-40 -84.45 -45.6 12.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.596 ' HA ' HG21 ' A' ' 108' ' ' ILE . 2.0 p 85.57 1.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.16 121.74 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.72 130.17 1.43 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.1 mtm -59.48 -26.92 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 46' ' ' ILE . 26.3 p-80 -75.53 -13.37 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 45' ' ' HIS . 20.3 mm -74.64 -57.85 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -47.95 -46.46 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 108.365 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 100' ' ' ASN . 2.0 mp0 -60.29 -58.0 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -28.44 31.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -65.33 -63.24 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG12 ' HD3' ' A' ' 55' ' ' LYS . 30.4 t -47.86 -61.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -48.41 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.46 -58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD21 ' CG1' ' A' ' 36' ' ' VAL . 14.6 mt -59.4 -33.12 70.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.691 ' HD3' HG12 ' A' ' 51' ' ' VAL . 1.1 mptp? -64.92 -25.51 67.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.16 -21.46 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -68.99 -13.97 62.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.32 62.76 5.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.086 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 2.6 tptt -111.39 -148.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.16 157.25 32.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.863 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.38 140.58 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 19.5 t -99.22 160.52 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -100.56 94.89 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.02 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -137.22 167.91 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 78' ' ' GLU . 49.1 t -103.46 123.96 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HB2' HG21 ' A' ' 30' ' ' VAL . 11.0 tp -87.41 115.11 24.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 47.1 m95 -95.48 146.29 24.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.007 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.609 HG11 ' C ' ' A' ' 135' ' ' ALA . 44.5 t -129.6 124.36 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.425 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 37.2 m -144.21 160.07 41.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -56.16 -25.85 48.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -77.35 -8.87 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 129.75 -133.38 7.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -128.17 175.15 8.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -158.14 106.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 84' ' ' ILE . 60.6 t -81.44 92.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.02 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t -82.52 155.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.639 ' HA ' HD11 ' A' ' 84' ' ' ILE . 33.9 t0 -101.57 103.93 14.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 65' ' ' VAL . 1.8 mt-10 -39.9 -28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -44.02 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 82' ' ' ASP . 8.0 t -120.92 18.88 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.1 mmtp 68.96 6.46 5.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' ' 80' ' ' THR . 12.9 t70 -51.61 178.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -107.0 121.63 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.0 mt -91.29 -48.52 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.34 153.57 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.77 92.05 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 91' ' ' LYS . 52.2 tp60 -96.49 143.54 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.496 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -108.04 140.93 40.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.592 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -56.83 -29.01 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -54.08 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HG2' HG23 ' A' ' 88' ' ' THR . 8.9 mmtm -46.06 -58.92 3.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -40.01 119.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.9 t -104.86 -47.58 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -139.54 159.84 41.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 27.2 p -155.86 126.16 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 108.279 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.32 152.96 46.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -89.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -178.15 -173.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 171.97 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 48' ' ' GLU . 74.5 m-80 -163.13 -44.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 104' ' ' ALA . 4.4 m-85 -90.42 -170.07 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.42 -31.5 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.819 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -170.09 79.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.912 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -125.29 101.3 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.834 ' CZ ' HG11 ' A' ' 136' ' ' VAL . 16.3 t80 -111.67 131.88 54.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 2.3 m -139.87 148.77 42.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 107' ' ' TYR . 4.6 p90 -131.71 144.29 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.596 HG21 ' HA ' ' A' ' 41' ' ' SER . 37.2 mt -87.05 145.67 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.8 p -157.36 169.34 24.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.308 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 100.38 9.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 154.53 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -110.37 -9.59 23.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.7 p -97.2 -51.53 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.377 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 116' ' ' ARG . 37.0 m -71.86 -23.07 61.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.08 38.83 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.497 ' HG2' HG22 ' A' ' 114' ' ' THR . 9.6 ptm180 -152.27 -170.72 3.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -91.18 130.74 37.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 5.8 mm -134.0 147.15 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 34.1 t -116.98 135.59 53.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 45.6 m-70 -109.54 122.45 47.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.4 m -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -148.82 127.24 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.912 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -96.73 97.9 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -41.78 158.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.408 ' O ' ' NH1' ' A' ' 103' ' ' ARG . 41.0 t -96.84 -67.36 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -4.26 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -97.64 174.57 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 131' ' ' ARG . 9.8 t -110.41 139.96 45.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.362 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.45 -30.04 1.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -61.0 -50.17 74.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 110.269 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.454 ' CZ ' ' NE2' ' A' ' 13' ' ' GLN . 61.7 mtt180 -58.89 -32.73 69.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.669 ' O ' HG12 ' A' ' 136' ' ' VAL . 6.9 mp -68.84 -41.59 78.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -23.16 67.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 55.3 t-80 -78.56 -51.8 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.609 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -55.8 -54.61 42.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.834 HG11 ' CZ ' ' A' ' 105' ' ' PHE . 14.6 p -62.34 -30.73 49.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.91 -6.88 86.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.502 ' HB3' HG11 ' A' ' 21' ' ' VAL . 18.2 m -85.15 -52.4 5.96 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -58.79 -42.0 88.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.4 ' CD1' HG13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -55.03 -50.17 69.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.38 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.78 62.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.592 ' CB ' HG21 ' A' ' 89' ' ' ILE . 42.0 t -60.46 -50.69 72.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 148' ' ' GLN . 16.1 mt -60.04 -27.78 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -22.6 66.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 3.4 ptm180 -95.84 -26.29 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 146' ' ' ARG . 30.3 mtmt -89.0 -57.25 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 144' ' ' LEU . 7.0 mt-30 -56.77 -86.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -131.6 115.61 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -54.61 149.69 10.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 150' ' ' ARG . 0.4 OUTLIER 163.62 112.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -83.85 120.23 5.16 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.26 14.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.5 p -173.07 76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 11.1 t -42.63 -55.46 3.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -56.2 166.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -131.42 -60.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.2 -142.56 13.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 m -78.86 171.95 14.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.19 174.93 6.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.44 -164.62 39.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.19 106.31 11.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -172.7 161.6 4.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.051 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 55.58 165.13 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.287 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.44 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' O ' ' CB ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -111.57 -165.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.612 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.526 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER 87.88 -18.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 19.0 m95 -106.7 -62.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 107.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' HH21 ' A' ' 10' ' ' ARG . 1.4 tt0 -47.8 -43.34 27.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -48.87 -42.44 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 86.2 m-20 -66.17 -27.1 67.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' C ' HG12 ' A' ' 21' ' ' VAL . 12.3 tt0 -70.21 -17.48 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 23' ' ' THR . 13.0 mt-10 -95.23 -63.95 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -43.57 -22.8 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.541 ' CG2' ' HB2' ' A' ' 139' ' ' ALA . 13.8 p -76.55 -50.11 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.777 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.7 ptt180 -77.02 -33.32 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.622 HG23 ' HG3' ' A' ' 22' ' ' ARG . 28.3 p -85.2 -71.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 143.78 60.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -171.3 41.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 40.7 t -107.65 59.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 27.5 p -120.7 148.6 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.54 166.27 19.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.92 4.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 64' ' ' ALA . 1.3 m -146.74 148.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.0 mttt -98.14 139.83 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -88.64 117.99 27.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' ALA . 93.8 mt -82.74 -52.14 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.74 -152.73 24.73 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.502 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.05 144.7 48.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 109.588 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.7 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 m -138.23 147.61 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HG3' ' NE ' ' A' ' 116' ' ' ARG . 3.9 tt0 -82.93 114.75 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 20.5 m -63.59 -170.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.03 -43.5 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -100.42 -31.15 11.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 m 83.0 0.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.33 134.03 8.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.35 125.02 1.73 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.115 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.2 mtm -58.91 -26.57 64.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 0.802 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -83.25 -12.63 56.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.636 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' CYS . 2.9 mm -74.35 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.634 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 78.2 m -40.84 -57.42 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -56.19 -53.13 60.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.05 -32.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.98 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 55' ' ' LYS . 24.3 t -40.03 -63.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.6 -41.89 2.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -56.47 -56.84 16.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.7 HD21 ' CG1' ' A' ' 36' ' ' VAL . 18.2 mt -64.3 -17.77 63.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -80.38 -22.16 41.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.85 -11.33 18.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.152 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.427 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.8 OUTLIER -70.94 -20.48 62.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.123 . . . . 0.0 110.408 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.86 63.57 3.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.56 -149.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.793 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -152.22 162.73 40.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -103.22 134.59 46.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -91.38 151.29 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -93.16 108.14 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.031 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.36 169.22 19.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.743 HG23 ' HG2' ' A' ' 78' ' ' GLU . 64.4 t -102.49 121.83 54.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . 8.9 tp -86.87 117.05 25.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 50.6 m95 -99.09 148.36 24.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.472 HG21 ' HZ ' ' A' ' 28' ' ' PHE . 4.7 t -131.93 120.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.3 m -138.36 155.54 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.94 -26.6 48.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -78.27 -6.59 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.06 -154.81 20.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.03 174.2 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 0.787 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -158.0 113.23 2.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 84' ' ' ILE . 58.2 t -89.37 94.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.031 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -84.5 154.33 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.696 ' HA ' HD11 ' A' ' 84' ' ' ILE . 40.3 t0 -101.32 103.7 14.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.743 ' HG2' HG23 ' A' ' 65' ' ' VAL . 4.4 mt-10 -38.93 -30.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.1 OUTLIER -42.3 -76.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.1 t -119.22 16.81 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.396 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' C ' HG13 ' A' ' 76' ' ' VAL . 13.9 mmtm 68.0 8.45 6.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER -53.76 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 83' ' ' LEU . 2.0 tm? -112.55 118.94 36.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.0 mt -87.26 -48.15 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.3 t -144.22 157.47 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.72 95.44 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 92' ' ' VAL . 6.4 tm0? -94.18 139.09 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 ' N ' ' CD ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -106.92 136.79 46.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.391 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.607 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -55.86 -19.25 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.23 -67.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.0 OUTLIER -42.38 -55.0 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' NE2' ' A' ' 87' ' ' GLN . 92.9 t -43.37 130.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.3 m -119.37 -42.73 2.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -141.22 156.1 45.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.8 p -156.01 120.46 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.342 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.95 154.76 80.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.24 179.49 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -148.49 -45.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -54.48 -44.95 73.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -93.93 -177.46 4.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -104.9 -31.14 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.964 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 6.4 ptp180 -145.5 75.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.88 103.33 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.64 ' CE1' HG11 ' A' ' 136' ' ' VAL . 20.7 t80 -112.99 126.92 56.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 2.6 p -138.81 144.37 39.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 6.0 p90 -135.12 150.34 50.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.5 mt -94.64 145.22 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.8 p -155.46 152.22 28.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 108.32 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -92.68 92.33 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 112' ' ' GLY . 14.6 t0 -44.22 150.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 111' ' ' ASP . . . -112.99 -43.69 0.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -65.5 -45.13 84.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.764 HG22 ' HG2' ' A' ' 116' ' ' ARG . 54.8 m -81.37 -23.52 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 68.23 55.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.779 ' HD2' HD11 ' A' ' 118' ' ' ILE . 1.1 ptp85 -169.03 -179.22 3.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 110' ' ' ARG . 5.2 m95 -88.44 126.47 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.779 HD11 ' HD2' ' A' ' 116' ' ' ARG . 21.5 mm -132.59 130.75 59.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 5.9 t -106.74 132.28 52.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 30.8 m-70 -109.38 133.95 52.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.42 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 7.0 m -114.18 149.03 36.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 27.2 m-85 -143.31 124.51 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 92.84 8.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.964 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -42.11 148.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 30' ' ' VAL . 63.9 t -81.05 -66.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -127.92 42.97 3.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.22 171.76 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 t -105.76 140.75 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -42.68 -31.59 1.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.407 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -53.38 -65.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -39.51 -53.29 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.619 ' H ' HD12 ' A' ' 132' ' ' LEU . 5.8 mp -50.29 -48.36 55.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 130' ' ' GLU . 0.1 OUTLIER -52.0 -36.8 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' SG ' ' A' ' 138' ' ' CYS . 59.1 t-80 -67.29 -54.19 23.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.537 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.432 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -51.79 -59.3 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.64 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.8 p -61.17 -28.43 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.4 -7.1 86.97 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.561 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 59.9 m -86.78 -64.4 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . . . -47.87 -44.03 29.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -54.31 -49.63 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.25 90.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.79 60.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.607 ' CB ' HG21 ' A' ' 89' ' ' ILE . 47.9 t -60.32 -48.68 80.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.009 HD23 ' HE2' ' A' ' 147' ' ' LYS . 18.2 mt -61.18 -41.17 96.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -36.64 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 1.009 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.9 OUTLIER -88.33 -59.87 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.7 pp0? -100.21 175.88 5.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 124.37 47.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.43 172.38 6.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.68 166.93 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -133.79 88.35 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 179.13 70.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.81 82.86 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.04 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 0.771 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.28 152.71 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.38 -173.5 12.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.4 136.37 53.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.12 -61.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.99 168.59 14.12 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.01 68.88 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 130.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' CD ' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -170.12 155.35 5.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.97 166.38 29.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.36 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' C ' HG22 ' A' ' 16' ' ' THR . 0.1 OUTLIER -124.69 -40.53 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 27.0 m95 -96.02 -66.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.056 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 tt0 -43.93 -47.13 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' C ' ' A' ' 13' ' ' GLN . 5.2 t -46.23 -37.68 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' HG12 ' A' ' 21' ' ' VAL . 12.4 tt0 -61.79 -15.86 44.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 17.2 mt-10 -95.6 -59.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.469 ' CA ' ' HD2' ' A' ' 25' ' ' LYS . . . -40.08 -26.25 0.1 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 139' ' ' ALA . 12.4 p -71.06 -51.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -78.34 -43.53 27.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.509 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 p -70.1 -60.05 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 127.01 54.74 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HD2' ' CA ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -165.2 40.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' HB1' ' A' ' 135' ' ' ALA . 42.4 t -101.39 52.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 59.9 p -114.99 138.8 50.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.054 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -134.07 163.88 47.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 HG21 ' HB2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -143.71 173.13 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.935 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 8.8 mtpt -121.34 145.73 47.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -94.53 113.7 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD21 ' HG3' ' A' ' 123' ' ' MET . 80.8 mt -79.26 -47.28 16.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.82 -150.15 22.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.2 OUTLIER -142.39 123.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.615 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.695 ' CG1' HD21 ' A' ' 54' ' ' LEU . 4.9 m -124.74 136.17 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG3' ' CD ' ' A' ' 116' ' ' ARG . 1.7 tt0 -55.03 116.27 2.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.098 HG11 HG23 ' A' ' 108' ' ' ILE . 34.9 m -45.0 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.843 ' HB2' HG23 ' A' ' 46' ' ' ILE . 17.6 m-20 -86.57 -56.35 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' CB ' ' A' ' 41' ' ' SER . 22.7 mm-40 -120.97 -69.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 2.4 p 156.58 -22.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.23 119.29 7.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.63 124.94 0.73 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -63.07 -19.69 64.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -89.73 -11.53 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.1 mm -75.49 -57.69 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 72.8 m -40.38 -51.93 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 108.248 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -56.46 -55.16 37.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -31.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -63.86 -66.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.688 HG12 ' HD3' ' A' ' 55' ' ' LYS . 20.7 t -41.59 -65.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -39.55 -52.62 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.71 -49.99 5.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.695 HD21 ' CG1' ' A' ' 36' ' ' VAL . 47.5 mt -68.43 -44.91 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.688 ' HD3' HG12 ' A' ' 51' ' ' VAL . 4.6 mptp? -53.29 -26.9 20.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.19 -24.7 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -69.3 -17.06 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.09 64.58 4.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.4 OUTLIER -113.82 -147.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 153.43 33.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -97.8 127.47 43.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 10.0 t -83.26 160.53 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -99.14 103.81 15.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.014 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.86 167.72 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG23 ' HG2' ' A' ' 78' ' ' GLU . 97.2 t -103.56 124.07 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' SER . 9.8 tp -87.8 115.05 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 46.3 m95 -98.06 147.07 24.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 107.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.31 117.6 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -135.72 161.8 34.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -26.25 41.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.85 -11.37 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.14 -132.09 6.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.55 172.73 9.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -158.6 111.78 2.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 84' ' ' ILE . 70.2 t -85.97 90.69 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.014 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.1 t -77.97 152.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.729 ' HA ' HD11 ' A' ' 84' ' ' ILE . 22.9 t0 -101.86 104.81 15.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.609 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.4 mt-10 -39.77 -28.85 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -42.9 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 11.4 t -120.41 15.77 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.364 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.611 ' C ' HG13 ' A' ' 76' ' ' VAL . 14.7 mmtp 69.76 6.21 5.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.1 OUTLIER -57.67 -177.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.627 HD11 ' O ' ' A' ' 85' ' ' VAL . 16.4 tp -105.3 126.39 52.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HA ' ' A' ' 77' ' ' ASP . 32.4 mt -92.26 -48.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.627 ' O ' HD11 ' A' ' 83' ' ' LEU . 54.3 t -138.7 157.76 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.69 117.41 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -126.43 143.17 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -107.35 138.56 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.413 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.8 tp -53.91 -27.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.127 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -57.92 -67.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 5.4 mptt -45.52 -53.95 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.651 HG12 ' HE2' ' A' ' 140' ' ' PHE . 74.5 t -39.87 101.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.9 t -80.33 -50.36 10.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -143.91 158.12 43.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 3.8 p -156.4 112.39 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.66 154.96 60.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -140.92 168.21 20.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -132.62 -43.47 0.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -43.41 -55.6 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 55' ' ' LYS . 4.2 m-85 -91.53 -176.4 4.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.13 -35.97 7.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.876 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 7.1 ptt180 -132.59 69.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.66 123.96 23.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' PHE . 5.1 t80 -145.44 136.7 24.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 78.5 p -144.4 156.61 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 6.3 p90 -138.42 160.34 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.098 HG23 HG11 ' A' ' 38' ' ' VAL . 20.3 mt -100.69 144.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 15.8 p -156.55 170.93 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -111.3 92.2 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ARG . 41.3 t0 -49.93 170.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -126.05 -45.48 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.12 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 p -50.71 -29.04 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.784 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.494 HG22 ' HG2' ' A' ' 116' ' ' ARG . 22.8 m -113.81 -16.63 12.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 8.0 mmt-85 63.77 57.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.494 ' HG2' HG22 ' A' ' 114' ' ' THR . 1.6 ptp85 -160.05 -178.51 7.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -90.47 122.94 33.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 6.1 mm -121.1 133.93 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.501 ' HB2' HG12 ' A' ' 38' ' ' VAL . 4.1 t -96.45 126.88 41.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 35' ' ' HIS . 33.1 m-70 -112.03 129.25 56.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.587 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.521 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 5.8 m -116.6 156.24 27.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' PHE . 61.4 m-85 -148.41 122.2 9.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.57 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -91.01 95.05 9.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.876 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -43.18 156.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.1 t -92.51 -60.76 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.52 41.35 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -144.01 -179.57 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.7 t -119.29 144.74 46.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -43.17 -38.4 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -50.03 -55.25 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.462 ' HG3' ' CE2' ' A' ' 14' ' ' TRP . 1.1 mtm180 -52.41 -52.41 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.597 ' H ' HD12 ' A' ' 132' ' ' LEU . 6.0 mp -51.98 -32.7 34.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.26 -33.18 72.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.582 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 49.8 t-80 -65.13 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.439 ' HB1' ' SG ' ' A' ' 26' ' ' CYS . . . -46.25 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.559 HG23 HD21 ' A' ' 73' ' ' LEU . 8.2 p -54.84 -33.55 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.78 -6.61 88.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 134' ' ' HIS . 72.1 m -94.17 -49.25 5.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 21' ' ' VAL . . . -59.75 -41.07 90.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.651 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -64.74 -54.46 31.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.81 -19.38 64.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.52 -50.88 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.535 ' CB ' HG21 ' A' ' 89' ' ' ILE . 38.9 t -58.47 -46.69 86.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.97 -31.48 72.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.46 -13.55 62.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 2.5 ptm180 -95.22 -26.08 16.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 148' ' ' GLN . 0.1 OUTLIER -97.3 -50.45 4.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.469 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 8.7 mt-30 -61.12 -58.96 6.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.4 mttt 42.2 43.5 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.35 162.92 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 152' ' ' GLY . 0.3 OUTLIER -44.32 -51.73 8.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 151' ' ' SER . . . 40.12 93.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.22 40.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.519 1.799 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.3 m -156.26 79.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -58.27 7.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.563 1.164 . . . . 0.0 111.007 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -142.34 88.36 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.97 142.52 34.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.94 132.24 2.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.23 137.2 36.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -61.06 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.25 5.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.03 86.78 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' ARG . 95.4 p -177.89 153.29 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -38.29 155.24 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 163.59 34.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' CA ' ' HB3' ' A' ' 15' ' ' GLN . 12.4 m-70 54.48 -177.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' A' ' 14' ' ' TRP . 73.5 mt-30 45.91 97.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 23.7 m95 80.12 -9.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' CA ' ' A' ' 12' ' ' HIS . 1.6 tt0 -93.43 -39.54 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 t -58.72 -36.3 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HB2' ' NE2' ' A' ' 134' ' ' HIS . 2.0 m-20 -87.07 -6.23 58.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' O ' HG12 ' A' ' 21' ' ' VAL . 7.6 tt0 -85.14 -24.96 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' THR . 6.9 pt-20 -92.91 -43.54 8.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -57.39 -14.46 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 138' ' ' CYS . 7.1 p -86.96 -27.41 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -102.68 -19.77 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.0 p -98.75 -58.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.38 69.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER 178.4 38.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' C ' ' A' ' 20' ' ' GLY . 33.4 t -102.49 62.54 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 1.6 p -118.56 143.85 46.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -138.8 163.18 48.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.787 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.1 m -141.55 173.85 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.817 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -118.03 142.93 46.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -95.28 105.98 17.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' ALA . 31.8 mt -73.99 -50.98 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.32 -153.12 25.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -131.92 135.63 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.571 ' CG1' HD21 ' A' ' 54' ' ' LEU . 15.7 m -124.12 160.37 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' CG ' ' HD3' ' A' ' 116' ' ' ARG . 0.2 OUTLIER -91.91 140.56 29.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 31.4 m -110.51 -173.6 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -133.28 -45.27 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 41' ' ' SER . 4.0 mm-40 -84.53 -45.69 12.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.4 p 85.11 5.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.84 123.91 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 161.48 122.33 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.91 -26.51 47.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -88.62 -20.21 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CG1' ' HA3' ' A' ' 43' ' ' GLY . 5.5 mm -63.43 -57.58 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.707 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 68.3 m -40.29 -56.26 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 108.284 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 3.2 mt-10 -56.08 -51.22 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -25.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -66.73 -57.19 7.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG12 ' HE2' ' A' ' 55' ' ' LYS . 15.9 t -48.24 -61.14 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -40.42 -47.65 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -52.57 30.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -66.25 -27.49 68.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' HE2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -71.27 -21.74 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.59 -15.25 16.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -71.73 -19.42 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.06 61.92 4.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -125.28 -148.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.05 -178.37 7.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -119.07 147.49 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 63' ' ' LYS . 13.0 t -101.87 160.4 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 1.7 mtpt -98.78 107.25 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.952 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -148.61 168.06 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.1 t -103.91 122.4 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 10.6 tp -88.18 116.37 26.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.528 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 32.7 m95 -97.19 154.93 17.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 135' ' ' ALA . 17.9 t -138.14 125.52 28.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 m -144.48 165.37 28.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -25.79 33.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 88' ' ' THR . 57.3 m-20 -76.12 -6.71 52.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' O ' HD23 ' A' ' 73' ' ' LEU . . . 125.29 -125.36 5.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.659 HD21 HG12 ' A' ' 136' ' ' VAL . 2.3 mt -130.58 173.55 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -157.67 116.05 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 84' ' ' ILE . 48.3 t -90.95 93.32 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.952 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 3.0 t -85.71 152.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.6 ' HA ' HD11 ' A' ' 84' ' ' ILE . 56.3 t0 -99.0 102.48 14.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -38.36 -31.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.2 OUTLIER -41.58 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.6 t -117.31 15.24 14.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.624 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.4 mmmm 67.94 8.79 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.528 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.5 OUTLIER -53.57 -173.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.5 tm? -112.89 120.48 41.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.1 mt -90.9 -53.45 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -136.49 152.98 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.97 92.06 3.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 39.7 tp60 -94.55 133.7 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -105.71 136.6 45.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CD1' ' A' ' 140' ' ' PHE . 2.5 tp -50.13 -39.26 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -45.88 -69.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HD3' ' CG2' ' A' ' 88' ' ' THR . 0.5 OUTLIER -50.01 -53.42 26.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' LYS . 55.8 t -39.26 98.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 91' ' ' LYS . 3.2 m -73.45 -53.2 11.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -146.77 161.46 40.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.7 p -153.42 112.75 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.9 157.45 66.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.446 ' CB ' ' OE1' ' A' ' 130' ' ' GLU . 18.5 Cg_endo -74.97 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 23.0 p-10 -124.24 175.85 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ASN . 1.1 mtt85 -156.22 55.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 99' ' ' ARG . 74.9 m-80 -164.06 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.95 179.12 6.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.58 -36.89 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -163.58 86.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.56 103.05 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 132' ' ' LEU . 6.7 t80 -111.67 124.4 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 121' ' ' CYS . 3.5 m -136.35 147.2 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 87' ' ' GLN . 6.3 p90 -133.56 156.01 48.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 41' ' ' SER . 72.1 mt -93.37 150.57 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 10.9 p -157.11 149.95 23.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -82.68 93.83 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 32.8 t0 -43.21 116.18 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.07 25.2 29.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 49.4 p -104.91 -53.91 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.768 HG22 ' HG3' ' A' ' 115' ' ' ARG . 32.5 m -96.26 -89.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.455 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.768 ' HG3' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER 172.89 46.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 110.312 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.403 ' HD3' ' CG ' ' A' ' 37' ' ' GLU . 2.9 ptp85 -150.44 -174.23 4.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -99.64 141.58 32.26 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.471 ' CG1' ' HB2' ' A' ' 111' ' ' ASP . 5.9 mm -134.62 151.76 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.475 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 13.6 t -121.45 133.48 55.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 108.329 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 62.7 m-70 -105.83 132.31 52.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.563 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 106' ' ' SER . 3.6 m -111.98 149.89 31.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.58 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 43.1 m-85 -145.96 122.15 10.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 101.83 13.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.813 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -45.61 157.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.427 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.6 t -94.57 -63.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -129.39 33.65 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -138.75 175.21 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.9 t -103.41 138.59 39.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.415 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -44.97 -28.13 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -56.29 -66.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 134' ' ' HIS . 0.9 OUTLIER -44.62 -40.66 5.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.545 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 3.2 mp -56.08 -49.92 72.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.541 ' HA ' ' CG2' ' A' ' 136' ' ' VAL . 1.3 t -68.39 -21.34 64.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -70.7 -9.57 57.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 68' ' ' VAL . . . -94.73 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.659 HG12 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -37.39 -49.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -58.35 -48.03 86.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.664 ' HB3' HG11 ' A' ' 21' ' ' VAL . 23.5 m -49.3 -67.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.353 -0.981 . . . . 0.0 108.353 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.583 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -43.81 -42.28 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.576 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -56.55 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -50.78 -25.95 5.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -80.4 -64.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.524 ' CB ' HG21 ' A' ' 89' ' ' ILE . 13.2 t -50.57 -39.35 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 148' ' ' GLN . 13.3 mt -72.24 -39.26 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -24.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -77.73 -36.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtmt -91.74 -57.5 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.8 pt20 -115.31 120.98 41.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -56.9 151.21 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.09 129.19 55.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.04 119.3 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -95.8 -145.17 18.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.36 12.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.47 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 t -132.86 -60.71 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.65 106.88 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -99.49 170.6 8.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -168.17 91.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.84 -172.23 1.64 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -148.19 -58.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 110.015 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.58 166.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 58.99 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.1 134.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.09 92.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.009 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -132.51 149.09 72.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -178.95 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' O ' HG22 ' A' ' 16' ' ' THR . 5.1 mm-40 73.78 -57.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.49 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 28.0 m95 -86.56 -55.29 3.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 107.971 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -47.03 -42.4 18.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 13' ' ' GLN . 8.6 t -56.21 -17.7 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -92.08 -6.23 51.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' C ' HG12 ' A' ' 21' ' ' VAL . 5.0 mt-10 -94.56 -27.19 16.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 23' ' ' THR . 7.6 pt-20 -93.9 -47.58 6.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -56.07 -14.28 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 138' ' ' CYS . 3.8 p -83.67 -20.41 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.629 ' HG3' HG23 ' A' ' 23' ' ' THR . 6.6 ptt180 -103.19 -24.07 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.629 HG23 ' HG3' ' A' ' 22' ' ' ARG . 41.9 p -93.64 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.435 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . 140.84 59.48 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 29.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 40.3 t -99.21 53.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 12.1 p -120.05 154.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -144.01 164.84 27.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.21 4.52 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' A' ' 125' ' ' VAL . 1.2 m -141.37 177.31 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 12.6 mtpt -125.08 131.11 53.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -80.56 109.63 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' A' ' 123' ' ' MET . 19.5 mt -80.01 -53.61 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.04 -151.51 23.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' HG23 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -134.16 155.3 50.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 53' ' ' ARG . 19.6 m -141.8 164.75 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -99.67 104.74 16.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 119' ' ' CYS . 21.9 m -64.08 -170.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.19 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' SER . 1.1 mm-40 -97.17 -22.89 16.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' HA ' HG21 ' A' ' 38' ' ' VAL . 39.1 m 65.88 10.1 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.57 134.48 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.35 125.43 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.0 mtm -60.71 -22.2 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -91.47 -19.06 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.619 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.75 -62.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.753 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 96.2 m -41.16 -57.17 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 100' ' ' ASN . 1.7 mp0 -54.96 -55.87 25.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -30.57 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -60.04 -55.84 29.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 101' ' ' PHE . 60.3 t -42.95 -62.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.99 -35.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -62.98 -58.48 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 HD12 ' SG ' ' A' ' 121' ' ' CYS . 13.8 mt -63.41 -13.85 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -88.81 -18.76 27.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.13 -2.7 17.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.68 -21.52 62.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.383 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.27 52.1 5.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.407 1.067 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -131.68 -144.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.29 178.32 10.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -113.63 160.02 19.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 24.6 t -111.85 151.19 13.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -90.45 102.71 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.027 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -144.52 168.06 21.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' HG2' ' A' ' 78' ' ' GLU . 80.6 t -102.69 124.23 56.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 27' ' ' SER . 13.2 tp -86.92 115.78 24.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.541 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 54.8 m95 -97.16 150.29 21.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.7 HG11 ' C ' ' A' ' 135' ' ' ALA . 5.0 t -133.08 124.52 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 10.9 m -144.07 161.03 39.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.66 -33.72 56.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.1 -15.33 63.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.99 -121.61 2.51 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -137.31 175.9 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -158.32 116.28 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG12 HD12 ' A' ' 84' ' ' ILE . 59.7 t -90.95 90.92 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.027 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.61 153.77 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' HA ' HD11 ' A' ' 84' ' ' ILE . 50.0 t0 -101.15 103.47 14.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.643 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.0 mt-10 -39.25 -29.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.73 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.7 t -118.47 15.49 13.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.577 ' C ' HG13 ' A' ' 76' ' ' VAL . 11.1 mmtt 68.97 7.75 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.6 OUTLIER -53.97 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.4 tm? -113.67 121.46 44.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.4 mt -90.35 -47.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.9 t -144.85 154.03 14.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -131.08 94.95 3.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 88' ' ' THR . 37.3 tp60 -94.88 149.13 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -111.77 145.1 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.376 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.671 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.9 tp -62.28 -23.2 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.64 -68.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 88' ' ' THR . 12.5 mmtm -44.71 -55.5 5.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.56 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -95.91 -43.85 7.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 96' ' ' ALA . 75.1 t80 -136.61 154.49 50.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.11 130.28 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -131.88 153.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' O ' ' CD ' ' A' ' 48' ' ' GLU . 18.1 Cg_endo -75.03 -163.65 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 99' ' ' ARG . 1.1 p-10 -81.19 -167.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 171.84 -37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 48' ' ' GLU . 8.8 m-20 -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 51' ' ' VAL . 13.2 m-85 -90.68 162.28 14.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -43.07 93.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 5.3 ptp180 -148.0 85.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' SD ' ' A' ' 123' ' ' MET . . . -133.15 136.23 45.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.485 ' CE1' HG11 ' A' ' 136' ' ' VAL . 15.3 t80 -140.91 129.31 22.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.8 t -140.92 151.27 44.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.4 p90 -137.37 147.25 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 mt -91.98 148.83 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.8 p -157.31 147.82 21.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.15 92.41 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -42.23 120.5 1.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -99.65 40.66 2.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.9 p -133.5 -46.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 0.775 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.572 HG21 ' NH1' ' A' ' 116' ' ' ARG . 2.5 m -100.27 -9.09 22.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 70.78 50.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.582 ' HD2' HD11 ' A' ' 118' ' ' ILE . 3.6 ptp85 -147.44 -170.28 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -105.01 131.38 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 107.995 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.582 HD11 ' HD2' ' A' ' 116' ' ' ARG . 22.4 mm -134.32 139.41 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.487 ' HB2' HG13 ' A' ' 38' ' ' VAL . 36.9 t -118.15 125.13 49.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 82.3 m-70 -97.69 136.43 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.552 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.476 ' SG ' HD12 ' A' ' 54' ' ' LEU . 34.6 m -112.61 149.36 32.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 120' ' ' HIS . 76.3 m-85 -148.95 118.68 7.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.978 ' HG2' HD11 ' A' ' 33' ' ' LEU . 5.9 mmm -91.39 140.61 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.713 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -77.62 145.92 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 31' ' ' LYS . 45.5 t -89.04 -57.17 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -136.25 27.63 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.47 -159.64 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 t -137.02 143.69 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -41.82 -43.09 4.06 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.414 ' HB3' ' CH2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -40.04 -65.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 0.74 . . . . 0.0 110.335 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.24 -43.14 61.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 28' ' ' PHE . 4.5 mp -60.33 -36.56 78.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 p -70.26 -18.16 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 9.7 t-160 -79.95 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.595 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.7 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.61 -54.83 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.485 HG11 ' CE1' ' A' ' 105' ' ' PHE . 14.0 p -58.0 -34.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -81.32 -8.22 87.43 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 21' ' ' VAL . 69.0 m -81.88 -57.89 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.503 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -55.38 -47.96 75.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.29 -58.17 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.92 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.61 -62.09 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.671 ' CB ' HG21 ' A' ' 89' ' ' ILE . 46.8 t -50.5 -49.86 54.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 108.332 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.622 HD22 ' CE ' ' A' ' 147' ' ' LYS . 13.7 mt -59.98 -35.45 75.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -11.84 43.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 147' ' ' LYS . 6.1 ptt85 -92.98 -25.78 17.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.622 ' CE ' HD22 ' A' ' 144' ' ' LEU . 2.2 pttp -101.02 -51.92 3.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.502 ' N ' ' CG ' ' A' ' 147' ' ' LYS . 3.0 mt-30 -55.7 -176.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -93.54 170.03 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.19 167.3 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.9 m 63.63 148.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.985 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -175.27 176.85 47.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 t -132.47 -56.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.04 92.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.035 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 74.83 -58.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 62.84 167.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.5 85.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -158.43 122.83 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -66.46 141.8 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 108.17 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.34 100.04 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -174.9 90.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -163.86 164.9 14.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.3 Cg_endo -75.01 -175.18 2.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -94.52 116.85 29.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 175.98 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 134' ' ' HIS . 20.3 m95 -135.45 -50.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.023 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.32 -41.46 79.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -55.93 -22.13 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 55.7 m-20 -84.37 -11.7 55.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.6 mt-10 -85.06 -33.82 22.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 23' ' ' THR . 7.0 pt-20 -82.49 -45.24 14.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.464 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -60.22 -21.81 57.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -92.01 -10.85 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -101.4 -32.48 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 19' ' ' GLU . 7.3 t -99.34 -37.13 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.28 71.2 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.599 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -176.96 37.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 17' ' ' ASP . 30.2 t -100.1 75.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 67' ' ' TRP . 29.7 p -129.62 151.25 50.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -144.12 165.58 23.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.0 m -144.53 177.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.785 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -121.97 147.6 45.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.13 107.43 19.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' A' ' 123' ' ' MET . 29.0 mt -74.53 -52.69 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.77 -150.4 22.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -141.79 138.67 32.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.549 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.793 ' CG1' HD21 ' A' ' 54' ' ' LEU . 11.6 m -129.53 160.47 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HG2' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -82.96 151.96 25.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 119' ' ' CYS . 29.4 m -118.74 169.86 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -123.68 -32.76 3.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.644 ' OE2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -99.5 -34.71 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.682 ' O ' HG21 ' A' ' 108' ' ' ILE . 0.7 OUTLIER 89.41 -27.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -138.36 148.34 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 46' ' ' ILE . . . 150.52 125.02 1.25 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.417 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 28.6 mtm -61.64 -34.29 75.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -81.86 -18.92 42.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.644 HG21 ' OE2' ' A' ' 40' ' ' GLU . 11.1 mm -65.97 -67.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.662 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.7 p -39.45 -51.93 2.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 108.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.58 -47.4 73.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -59.54 -27.39 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 47' ' ' CYS . . . -62.97 -55.5 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG12 ' HE2' ' A' ' 55' ' ' LYS . 41.5 t -46.73 -60.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.82 -42.48 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -54.19 47.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.793 HD21 ' CG1' ' A' ' 36' ' ' VAL . 12.8 mt -69.94 -8.45 48.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HE2' ' CE2' ' A' ' 101' ' ' PHE . 22.3 mmtm -89.37 -19.79 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.63 -1.6 14.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 1.2 t -74.04 -22.21 59.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.04 50.31 5.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -127.57 -166.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -140.7 -177.32 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.785 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -114.26 147.88 38.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 5.9 t -101.9 156.47 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.96 103.48 15.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 1.009 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -145.21 167.64 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.6 HG23 ' HG2' ' A' ' 78' ' ' GLU . 54.3 t -104.87 125.16 59.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.3 tp -87.38 121.43 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 27' ' ' SER . 57.7 m95 -102.36 143.6 31.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG11 ' C ' ' A' ' 135' ' ' ALA . 42.8 t -124.94 124.09 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 m -144.02 158.06 43.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' ' HB1' ' A' ' 139' ' ' ALA . . . -55.28 -29.22 57.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -73.98 -12.32 60.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.65 -133.9 7.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.64 176.33 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -158.02 110.73 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.548 HG12 HD12 ' A' ' 84' ' ' ILE . 58.0 t -83.55 91.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.009 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.6 t -80.9 154.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 84' ' ' ILE . 39.5 t0 -101.56 103.67 14.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 65' ' ' VAL . 2.4 mt-10 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -43.18 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 82' ' ' ASP . 7.4 t -120.37 16.84 12.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.457 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 76' ' ' VAL . 18.4 mmtp 68.66 7.31 6.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.2 OUTLIER -53.33 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 tm? -111.43 120.14 41.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 77' ' ' ASP . 21.7 mt -88.86 -47.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.5 t -144.44 156.42 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.08 99.52 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 109' ' ' CYS . 34.3 tp60 -100.94 139.77 36.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -106.55 137.21 44.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 140' ' ' PHE . 3.2 tp -54.16 -25.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.49 -68.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 88' ' ' THR . 11.8 mmtt -46.48 -57.32 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.11 112.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 m -97.31 -47.01 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 41.1 t80 -135.74 155.01 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.7 p -156.02 120.0 4.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -136.79 152.89 75.13 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -166.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.44 ' OD2' HG21 ' A' ' 51' ' ' VAL . 4.0 m-20 -132.45 157.2 45.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -45.48 2.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -44.53 -45.98 9.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE2' ' HE2' ' A' ' 55' ' ' LYS . 14.9 m-85 -96.78 -161.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -121.04 -42.01 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.902 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 9.4 ptt-85 -129.73 70.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.837 ' HB2' ' HE2' ' A' ' 123' ' ' MET . . . -135.14 99.12 4.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG11 ' A' ' 136' ' ' VAL . 4.5 t80 -112.63 118.44 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.418 ' OG ' ' CB ' ' A' ' 121' ' ' CYS . 16.0 m -127.76 147.83 50.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 5.7 p90 -137.86 148.97 45.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.682 HG21 ' O ' ' A' ' 41' ' ' SER . 84.3 mt -95.98 146.7 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 87' ' ' GLN . 12.9 p -157.01 154.06 28.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -85.44 97.45 10.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' CG ' HG22 ' A' ' 113' ' ' THR . 2.2 t0 -43.3 113.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.24 34.9 3.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 114' ' ' THR . 5.9 t -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 115' ' ' ARG . 4.6 m -92.4 -98.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HG22 ' A' ' 114' ' ' THR . 0.0 OUTLIER -179.32 40.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' NE ' ' HG2' ' A' ' 37' ' ' GLU . 2.4 ptp85 -145.85 -171.46 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.507 ' CE3' ' OG ' ' A' ' 41' ' ' SER . 4.5 m95 -107.39 137.65 45.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 107.974 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 35' ' ' HIS . 3.2 mm -128.4 150.46 34.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 33.5 t -115.32 140.01 49.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 21.1 m-70 -116.71 140.0 49.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.444 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 8.5 m -121.71 148.3 44.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 108.27 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 107' ' ' TYR . 33.6 m-85 -143.97 121.68 11.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.837 ' HE2' ' HB2' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -92.89 95.52 9.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.902 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.01 157.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.498 HG23 ' CA ' ' A' ' 30' ' ' VAL . 41.9 t -91.95 -67.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 56.4 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 131' ' ' ARG . 0.6 OUTLIER -164.39 160.02 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 132' ' ' LEU . 3.3 t -81.64 157.17 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -81.73 3.78 77.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' C ' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.69 -41.7 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.495 ' HB3' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -76.31 -27.34 56.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 128' ' ' THR . 5.3 mp -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.473 ' HA ' HG12 ' A' ' 136' ' ' VAL . 0.9 OUTLIER -76.24 -21.77 55.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.59 ' HB2' ' CE3' ' A' ' 14' ' ' TRP . 45.2 t-80 -70.74 -42.53 70.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -63.38 -59.86 4.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.547 HG11 ' CE1' ' A' ' 105' ' ' PHE . 12.6 p -57.16 -33.54 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -83.59 -7.17 86.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.37 -58.1 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 70' ' ' ALA . . . -51.12 -41.48 60.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.517 ' CD1' HG13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -52.88 -57.8 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -51.88 -37.04 50.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 139' ' ' ALA . . . -66.18 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.491 ' CB ' HG21 ' A' ' 89' ' ' ILE . 30.9 t -48.54 -49.28 36.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.692 HD23 ' HE2' ' A' ' 147' ' ' LYS . 12.3 mt -57.74 -50.7 72.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.1 OUTLIER -37.78 -61.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.8 OUTLIER -37.08 -43.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.692 ' HE2' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -84.43 -57.97 2.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.92 -173.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.66 164.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.64 147.05 40.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.76 -45.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -113.75 -86.14 1.44 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.8 2.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.571 1.827 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.6 p -143.75 -56.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 23.1 t -167.27 -56.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -168.75 162.88 11.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -159.99 142.78 13.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.77 133.3 7.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.47 109.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 110.0 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -155.27 157.2 36.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.31 136.67 3.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.757 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.38 118.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -142.4 159.49 57.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.02 2.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 64.61 -175.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.524 ' C ' HG22 ' A' ' 16' ' ' THR . 15.5 mm-40 -142.54 -54.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 134' ' ' HIS . 18.4 m95 -94.08 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -47.24 -41.53 18.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.524 HG22 ' C ' ' A' ' 13' ' ' GLN . 4.1 t -56.65 -17.19 7.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -91.05 -15.78 28.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' C ' HG12 ' A' ' 21' ' ' VAL . 4.3 mt-10 -84.58 -23.29 29.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.82 ' O ' HG23 ' A' ' 23' ' ' THR . 8.8 pt-20 -94.41 -45.51 7.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' CG ' ' A' ' 19' ' ' GLU . . . -58.45 -13.76 17.8 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG21 ' CA ' ' A' ' 139' ' ' ALA . 7.5 p -89.14 -26.9 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HG3' HG23 ' A' ' 23' ' ' THR . 2.9 ptt180 -102.74 -11.31 18.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 19' ' ' GLU . 43.8 p -107.8 -61.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.66 70.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.09 37.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 0.754 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 26' ' ' CYS . 44.2 t -101.4 49.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' ' CD2' ' A' ' 67' ' ' TRP . 59.8 p -114.6 151.38 33.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -143.83 164.28 30.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.12 4.49 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.602 ' CA ' HG23 ' A' ' 125' ' ' VAL . 2.5 m -141.73 168.12 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.838 ' HD2' HG22 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -111.52 144.41 40.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.44 107.08 19.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' A' ' 123' ' ' MET . 19.1 mt -72.95 -47.36 46.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.4 -146.14 14.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB2' ' CG2' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -145.61 122.86 11.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.764 . . . . 0.0 109.637 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG11 ' HG ' ' A' ' 54' ' ' LEU . 2.8 m -117.19 175.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' VAL . 2.0 tt0 -95.44 119.15 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.799 HG11 HG23 ' A' ' 108' ' ' ILE . 19.5 m -52.1 -176.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -120.77 -40.75 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 41' ' ' SER . 44.2 mm-40 -120.82 -75.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.608 ' HA ' HG21 ' A' ' 108' ' ' ILE . 1.5 p 155.11 -21.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -154.12 121.84 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 163.16 138.87 2.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtm -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -75.31 -8.55 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.653 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.17 -55.3 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 19.8 m -44.89 -52.82 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 100' ' ' ASN . 4.3 mt-10 -58.7 -49.25 78.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.02 -40.67 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 121' ' ' CYS . . . -57.34 -62.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' ' HE3' ' A' ' 55' ' ' LYS . 48.1 t -40.26 -60.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.23 -55.05 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.86 -53.91 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 ' HG ' HG11 ' A' ' 36' ' ' VAL . 13.2 mt -66.24 -32.26 73.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.239 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HE3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -67.12 -20.09 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.87 -18.93 16.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -71.31 -20.01 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 68.16 1.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 57' ' ' THR . 0.3 OUTLIER -127.43 -151.84 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 174.41 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.7 ' HB1' ' HB3' ' A' ' 31' ' ' LYS . . . -112.25 163.66 14.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' LYS . 20.9 t -115.13 156.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -95.31 104.88 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 76' ' ' VAL . . . -147.15 167.71 23.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.601 HG23 ' HG2' ' A' ' 78' ' ' GLU . 66.2 t -105.91 125.83 61.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' SER . 11.6 tp -88.53 121.46 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 27' ' ' SER . 64.3 m95 -101.31 146.24 27.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 108.029 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' C ' ' A' ' 135' ' ' ALA . 12.2 t -132.1 121.46 46.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 13.0 m -143.62 162.73 35.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.73 -30.59 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 88' ' ' THR . 38.6 m-20 -70.07 -16.71 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.73 -130.71 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD21 HG23 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -126.21 172.76 9.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.483 ' HD3' ' CD2' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -158.46 104.91 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 84' ' ' ILE . 59.8 t -81.11 94.29 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.989 ' O ' ' HB1' ' A' ' 64' ' ' ALA . 2.7 t -82.52 153.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.734 ' HA ' HD11 ' A' ' 84' ' ' ILE . 27.2 t0 -102.19 104.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.601 ' HG2' HG23 ' A' ' 65' ' ' VAL . 3.0 mt-10 -38.83 -29.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.0 OUTLIER -41.56 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' HB2' ' A' ' 82' ' ' ASP . 9.8 t -122.14 17.83 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.595 ' C ' HG13 ' A' ' 76' ' ' VAL . 5.9 mmtt 69.83 5.79 5.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 80' ' ' THR . 0.4 OUTLIER -54.48 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.648 HD11 ' O ' ' A' ' 85' ' ' VAL . 21.2 tp -113.82 125.64 54.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.4 mt -92.56 -42.72 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.648 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.5 t -144.37 155.93 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.46 113.03 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -123.14 142.8 50.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 91' ' ' LYS . 1.7 t -107.46 142.31 37.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.631 HG21 ' CB ' ' A' ' 143' ' ' CYS . 2.1 tp -56.51 -32.75 37.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -52.44 -64.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' H ' HG23 ' A' ' 88' ' ' THR . 0.6 OUTLIER -49.07 -56.04 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . 66.5 t -39.64 123.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -102.02 -52.84 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -143.82 160.73 40.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.6 p -156.59 132.07 9.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.58 67.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' CG ' ' OE2' ' A' ' 130' ' ' GLU . 18.2 Cg_endo -75.0 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -144.89 141.03 28.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.07 -2.4 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 27.7 m-20 -90.41 -23.65 20.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -113.6 167.93 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -48.71 78.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.95 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . 20.2 ptt-85 -163.22 92.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB2' ' CE ' ' A' ' 123' ' ' MET . . . -133.69 120.44 20.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HG11 ' A' ' 136' ' ' VAL . 19.8 t80 -127.3 133.29 50.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 120' ' ' HIS . 73.7 p -141.72 162.14 36.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 3.8 p90 -150.24 151.79 33.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.799 HG23 HG11 ' A' ' 38' ' ' VAL . 72.7 mt -93.07 147.59 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 18.7 p -157.8 141.26 15.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 108.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HA ' ' CG ' ' A' ' 117' ' ' TRP . 2.1 ttm-85 -75.86 148.06 38.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.97 145.81 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.02 93.16 0.66 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 114' ' ' THR . 0.1 OUTLIER -178.24 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 0.767 . . . . 0.0 110.432 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.646 ' H ' HG23 ' A' ' 113' ' ' THR . 2.4 m -92.85 -5.07 51.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.04 52.31 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.666 ' CZ ' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -163.23 -175.43 4.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CG ' ' HA ' ' A' ' 110' ' ' ARG . 7.7 m95 -114.71 147.17 40.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 107.989 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.666 HD11 ' CZ ' ' A' ' 116' ' ' ARG . 32.0 mm -106.89 139.66 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 1.8 t -104.27 103.45 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 108.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' SER . 32.6 m-70 -86.44 125.24 33.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 50' ' ' ALA . 3.9 m -110.56 153.93 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' PHE . 76.0 m-85 -149.18 129.06 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.776 ' CE ' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -99.88 95.59 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 103' ' ' ARG . . . -40.28 144.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.838 HG22 ' HD2' ' A' ' 31' ' ' LYS . 44.3 t -77.88 -68.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 37.41 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -136.19 177.09 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.1 t -109.98 144.45 38.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.436 ' HA2' HD13 ' A' ' 132' ' ' LEU . . . -44.54 -26.31 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.416 ' OE2' ' CG ' ' A' ' 97' ' ' PRO . 0.8 OUTLIER -61.27 -65.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.03 -36.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 124' ' ' ALA . 3.3 mp -66.28 -52.51 46.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -22.91 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 14' ' ' TRP . 15.1 t-80 -73.6 -66.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.681 ' C ' HG11 ' A' ' 68' ' ' VAL . . . -43.21 -59.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.633 HG11 ' CE1' ' A' ' 105' ' ' PHE . 10.7 p -56.4 -32.06 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' HIS . . . -82.42 -6.75 88.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 21' ' ' VAL . 78.6 m -85.6 -61.5 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.541 ' CA ' HG21 ' A' ' 21' ' ' VAL . . . -49.92 -40.33 42.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.3 -52.84 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.97 -36.0 76.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.2 -55.14 10.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.631 ' CB ' HG21 ' A' ' 89' ' ' ILE . 39.7 t -57.09 -45.35 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD23 ' HD3' ' A' ' 147' ' ' LYS . 13.6 mt -67.26 -35.93 80.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -30.33 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.22 -36.01 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.55 ' HD3' HD23 ' A' ' 144' ' ' LEU . 6.4 mtpt -86.83 -57.59 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -106.14 -179.98 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -118.91 126.97 53.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.29 162.05 15.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.7 p -145.36 144.34 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 109.5 85.43 1.66 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.15 8.96 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.94 79.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.67 -57.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 stop_ save_