data_2lgn_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 2lgn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.568 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.9 t-80 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.8 t30 -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.565 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 55' ' ' LEU . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.55 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.7 t-80 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.491 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.401 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.456 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.1 t-80 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 24' ' ' HIS . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' HG22 ' A' ' 23' ' ' THR . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 48.2 t30 -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.536 ' OD1' ' CB ' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.552 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.5 t-80 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.488 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.494 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.7 t-80 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' HIS . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 49' ' ' ALA . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.487 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.487 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.0 t-80 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.457 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 24' ' ' HIS . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.425 ' N ' HG23 ' A' ' 23' ' ' THR . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.573 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.622 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.561 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.561 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.512 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.598 ' HG ' ' NE ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.3 t-80 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.6 t-80 -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 24' ' ' HIS . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' HG21 ' A' ' 23' ' ' THR . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.469 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.496 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.496 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.562 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.562 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.556 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.1 t-80 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 43.6 t30 -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' LYS . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.562 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.562 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.513 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.472 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.567 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.6 t-80 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 24' ' ' HIS . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 23' ' ' THR . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.49 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.49 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.565 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.513 ' N ' ' HE2' ' A' ' 57' ' ' GLU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' HE2' ' N ' ' A' ' 56' ' ' THR . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.51 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.622 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.9 t-80 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.565 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.423 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.623 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.522 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.5 t-80 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 24' ' ' HIS . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 23' ' ' THR . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.563 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.424 ' C ' ' CD2' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.563 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.7 t30 -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.414 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.4 t-80 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 55' ' ' LEU . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.6 t-80 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.493 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.493 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.433 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.501 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.501 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.41 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.548 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.4 t-80 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.492 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.492 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.497 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.434 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.53 ' N ' ' HE2' ' A' ' 57' ' ' GLU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.53 ' HE2' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.4 t-80 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.526 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t-80 -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.455 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 24' ' ' HIS . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' N ' HG23 ' A' ' 23' ' ' THR . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.5 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.5 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.573 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.556 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.528 0.204 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 54.2 t-80 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 24' ' ' HIS . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 23' ' ' THR . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.495 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.567 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.567 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.472 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.85 -154.33 6.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m -124.24 110.21 14.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.568 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.9 t-80 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.8 t30 -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.504 ' C ' ' O ' ' A' ' 55' ' ' LEU . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.64 47.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m -126.95 112.23 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.55 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.7 t-80 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.491 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.456 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.62 -154.21 21.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m -129.16 108.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.565 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.1 t-80 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 24' ' ' HIS . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' HG22 ' A' ' 23' ' ' THR . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 48.2 t30 -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.536 ' OD1' ' CB ' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.552 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.33 -177.58 46.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m -122.89 112.02 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.5 t-80 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.488 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.572 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 1' ' ' GLU . . . 33.49 -148.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m -105.52 105.21 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.494 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.7 t-80 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' HIS . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' CE1' HG11 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 47.11 -156.14 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m -127.54 112.81 15.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.353 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 49' ' ' ALA . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.487 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.487 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -58.64 -153.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -119.76 107.27 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.0 t-80 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.457 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 24' ' ' HIS . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.425 ' N ' HG23 ' A' ' 23' ' ' THR . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.498 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' CD ' ' C ' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.573 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.04 -158.55 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m -122.41 112.37 18.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.622 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.561 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.561 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.512 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -65.21 -156.33 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -119.29 105.08 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.581 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.598 ' HG ' ' NE ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.3 t-80 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.6 t-80 -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 24' ' ' HIS . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' N ' HG21 ' A' ' 23' ' ' THR . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.469 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.496 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.562 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.562 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.482 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.482 ' O ' ' O ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.97 -154.61 9.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m -125.21 108.79 12.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.556 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.1 t-80 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 43.6 t30 -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 38' ' ' LYS . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.562 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.562 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.513 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.417 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.472 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.44 -157.13 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -123.0 114.78 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.567 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.6 t-80 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 24' ' ' HIS . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 23' ' ' THR . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.49 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.49 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.513 ' N ' ' HE2' ' A' ' 57' ' ' GLU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' HE2' ' N ' ' A' ' 56' ' ' THR . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.401 ' O ' ' OH ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.28 -157.58 28.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m -120.62 104.3 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.51 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.622 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.9 t-80 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.565 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.423 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . -47.77 177.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m -89.72 108.71 19.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.623 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.522 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.5 t-80 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 24' ' ' HIS . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 23' ' ' THR . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.502 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.563 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.424 ' C ' ' CD2' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.44 -163.38 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m -128.53 110.86 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.563 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.7 t30 -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' CB ' HG11 ' A' ' 28' ' ' VAL . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' O ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.522 ' O ' ' O ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.414 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.57 -156.37 26.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -128.38 112.35 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.57 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.4 t-80 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.502 ' C ' ' O ' ' A' ' 55' ' ' LEU . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -64.14 -154.13 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m -120.27 109.12 15.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.6 t-80 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.493 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.493 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.493 ' CG2' ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 45.52 -158.36 0.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -129.76 112.21 13.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' CE1' HG13 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.501 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.501 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.41 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 39.18 -158.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m -131.19 110.85 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.4 t-80 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.492 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.492 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.497 ' HD3' ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.434 ' N ' ' OE1' ' A' ' 36' ' ' GLN . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.567 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 ' CG1' ' HB2' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG1' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.53 ' N ' ' HE2' ' A' ' 57' ' ' GLU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.53 ' HE2' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.06 -158.43 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -126.04 109.77 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.4 t-80 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.526 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t-80 -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 24' ' ' HIS . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' N ' HG23 ' A' ' 23' ' ' THR . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.5 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.5 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.573 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 28' ' ' VAL . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.48 HG23 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.556 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.98 -159.81 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m -125.66 112.15 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' A' ' 9' ' ' GLY . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 54.2 t-80 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 24' ' ' HIS . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 23' ' ' THR . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.499 ' OD1' ' CG2' ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 ' CG2' ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.486 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.495 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.567 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.567 ' CG1' ' CB ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' CB ' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.6 t60 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.846 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.521 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.782 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.729 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.846 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.619 ' CG2' HG23 ' A' ' 10' ' ' VAL . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.3 t60 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 41' ' ' GLN . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.683 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.724 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.702 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.954 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.874 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.5 m-20 -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.918 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.918 HG23 ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 69.6 t60 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 41' ' ' GLN . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.84 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.684 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.804 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.84 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.961 ' HB3' HG11 ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.961 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.796 ' HB1' ' OD1' ' A' ' 39' ' ' ASP . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.734 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.599 HG23 ' HG ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.9 t60 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.766 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.471 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 27' ' ' THR . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.484 HG23 ' OG ' ' A' ' 25' ' ' SER . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.958 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.741 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.4 m-20 -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 68.7 t60 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' GLN . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.705 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.662 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.815 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 27' ' ' THR . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.963 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.758 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.6 m-20 -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.579 ' HG ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.6 t60 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 41' ' ' GLN . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.78 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.758 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.78 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.9 m-20 -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 76.3 t60 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.8 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.5 m-20 -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.2 t60 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' GLN . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.667 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.725 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.878 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.808 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.878 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' ' 55' ' ' LEU . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 70.8 t60 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 0.6 OUTLIER -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 41' ' ' GLN . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.788 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.709 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.876 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.544 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 25' ' ' SER . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.786 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.876 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.532 HG23 ' HG ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.4 t60 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.7 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.716 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.87 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.776 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.958 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.802 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.9 m-20 -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.927 HG23 ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.2 t60 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.889 ' C ' HG11 ' A' ' 51' ' ' VAL . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.791 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.889 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.6 m-20 -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' SER . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.1 t60 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.723 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.873 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.951 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.778 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.873 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.7 m-20 -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 69.7 t60 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 41' ' ' GLN . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.572 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.845 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.629 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.816 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.485 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.943 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.943 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' ASP . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.845 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.826 ' C ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.826 HD23 ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.9 t60 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 41' ' ' GLN . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.775 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.702 ' OD1' HG23 ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.702 HG23 ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.84 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' CB ' HG11 ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.563 HG23 ' HG ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.413 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 71.0 t60 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.41 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 41' ' ' GLN . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.744 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.82 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.721 HG23 ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.849 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.849 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.625 HG22 HG23 ' A' ' 10' ' ' VAL . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.8 t60 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' GLN . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.72 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.895 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.751 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.959 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.959 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.795 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.895 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.4 m-20 -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.006 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.006 HG23 ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 74.6 t60 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.597 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 40' ' ' THR . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.824 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.853 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 25' ' ' SER . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.96 ' HB3' HG11 ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.736 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.853 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.88 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.3 t60 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' GLN . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.695 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.728 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.884 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.695 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 25' ' ' SER . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.963 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.793 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.884 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.8 m-20 -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.002 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.002 HG23 ' HG ' ' A' ' 55' ' ' LEU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.452 ' C ' ' HH ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.8 t60 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.472 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 0.3 OUTLIER -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.472 ' OG ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 40' ' ' THR . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.835 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.669 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.832 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 25' ' ' SER . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.984 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.984 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.75 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.835 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.568 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 5.9 m-20 -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.926 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.926 HG23 ' HG ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.528 0.204 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 71.1 t60 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 41' ' ' GLN . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.817 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.685 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.685 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.484 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.752 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.408 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.817 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.85 -154.33 6.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m -124.24 110.21 14.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.6 t60 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.846 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.521 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.782 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.729 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.846 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.619 ' CG2' HG23 ' A' ' 10' ' ' VAL . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.64 47.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m -126.95 112.23 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.3 t60 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 41' ' ' GLN . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.683 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.724 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.702 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.954 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.874 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.5 m-20 -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.918 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.918 HG23 ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.62 -154.21 21.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m -129.16 108.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 69.6 t60 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 41' ' ' GLN . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.84 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.684 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.804 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.84 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.961 ' HB3' HG11 ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.961 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.796 ' HB1' ' OD1' ' A' ' 39' ' ' ASP . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.734 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.599 HG23 ' HG ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.33 -177.58 46.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m -122.89 112.02 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.9 t60 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.766 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.471 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 27' ' ' THR . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.484 HG23 ' OG ' ' A' ' 25' ' ' SER . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.958 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.741 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.4 m-20 -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 1' ' ' GLU . . . 33.49 -148.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m -105.52 105.21 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 68.7 t60 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' GLN . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.705 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.662 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.815 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 27' ' ' THR . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.963 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.758 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.6 m-20 -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 47.11 -156.14 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m -127.54 112.81 15.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.353 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.579 ' HG ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.6 t60 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 41' ' ' GLN . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.78 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.758 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.78 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.9 m-20 -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -58.64 -153.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -119.76 107.27 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 76.3 t60 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.8 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.5 m-20 -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.565 ' CD ' ' HE2' ' A' ' 19' ' ' HIS . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.04 -158.55 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m -122.41 112.37 18.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.2 t60 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.565 ' HE2' ' CD ' ' A' ' 1' ' ' GLU . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' GLN . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.667 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.725 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.878 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.808 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.878 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' ' 55' ' ' LEU . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -65.21 -156.33 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -119.29 105.08 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 70.8 t60 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 0.6 OUTLIER -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 41' ' ' GLN . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.788 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.709 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.876 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.544 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 25' ' ' SER . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.786 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.876 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.532 HG23 ' HG ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.97 -154.61 9.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m -125.21 108.79 12.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.4 t60 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.7 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.716 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.87 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.776 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.958 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.802 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.9 m-20 -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.927 HG23 ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.44 -157.13 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -123.0 114.78 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.2 t60 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.889 ' C ' HG11 ' A' ' 51' ' ' VAL . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.791 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.889 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.6 m-20 -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' SER . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.28 -157.58 28.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m -120.62 104.3 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.1 t60 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.723 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.873 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.951 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.778 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.873 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 6.7 m-20 -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . -47.77 177.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m -89.72 108.71 19.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 69.7 t60 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 41' ' ' GLN . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.845 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.629 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.816 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.485 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.943 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.943 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' ASP . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.845 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.826 ' C ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.826 HD23 ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.44 -163.38 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m -128.53 110.86 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 75.9 t60 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 41' ' ' GLN . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.775 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.702 ' OD1' HG23 ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.702 HG23 ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.84 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' CB ' HG11 ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.563 HG23 ' HG ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.413 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.57 -156.37 26.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -128.38 112.35 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 71.0 t60 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.41 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 41' ' ' GLN . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.744 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.82 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.721 HG23 ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.849 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.849 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.625 HG22 HG23 ' A' ' 10' ' ' VAL . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -64.14 -154.13 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m -120.27 109.12 15.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.8 t60 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' GLN . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.72 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.895 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.751 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.959 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.959 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.795 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.895 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 5.4 m-20 -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.006 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.006 HG23 ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 45.52 -158.36 0.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -129.76 112.21 13.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 74.6 t60 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.597 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 40' ' ' THR . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.824 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.853 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 25' ' ' SER . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.96 ' HB3' HG11 ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.736 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.853 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.88 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 19' ' ' HIS . 6.4 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 39.18 -158.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m -131.19 110.85 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 73.3 t60 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' GLN . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.695 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.728 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.884 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.695 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 25' ' ' SER . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.963 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.793 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.884 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 4.8 m-20 -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.002 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.002 HG23 ' HG ' ' A' ' 55' ' ' LEU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.452 ' C ' ' HH ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.06 -158.43 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -126.04 109.77 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 72.8 t60 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.472 ' CD2' ' OG ' ' A' ' 21' ' ' SER . 0.3 OUTLIER -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.472 ' OG ' ' CD2' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 40' ' ' THR . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.835 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.669 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.832 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 25' ' ' SER . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.984 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.984 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.75 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.835 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.568 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 5.9 m-20 -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.926 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.926 HG23 ' HG ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.98 -159.81 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m -125.66 112.15 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 71.1 t60 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 41' ' ' GLN . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.817 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.685 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.685 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.484 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.752 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.408 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.817 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.9 t-80 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.8 t30 -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.846 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.521 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.782 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.729 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.846 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.619 ' CG2' HG23 ' A' ' 10' ' ' VAL . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.7 t-80 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 41' ' ' GLN . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.683 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.724 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.702 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.954 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.874 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.918 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.918 HG23 ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.1 t-80 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 41' ' ' GLN . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.84 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 48.2 t30 -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.684 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.804 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.84 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.961 ' HB3' HG11 ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.961 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.796 ' HB1' ' OD1' ' A' ' 39' ' ' ASP . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.734 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.599 HG23 ' HG ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.5 t-80 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.766 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.471 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 27' ' ' THR . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.484 HG23 ' OG ' ' A' ' 25' ' ' SER . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.958 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.741 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.7 t-80 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' GLN . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.705 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.662 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.815 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 27' ' ' THR . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.963 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.758 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.579 ' HG ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 41' ' ' GLN . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.78 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.758 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.493 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.78 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.0 t-80 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.457 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.8 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' GLN . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.667 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.725 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.878 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.808 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.878 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' ' 55' ' ' LEU . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.3 t-80 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.6 t-80 -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 41' ' ' GLN . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.788 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.709 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.876 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.544 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 25' ' ' SER . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.786 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.876 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.532 HG23 ' HG ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.1 t-80 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 43.6 t30 -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.7 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.716 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.87 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.776 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.958 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.802 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.927 HG23 ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.6 t-80 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.721 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.889 ' C ' HG11 ' A' ' 51' ' ' VAL . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.791 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.889 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' SER . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.9 t-80 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.723 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.873 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.951 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.778 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.873 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.5 t-80 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 41' ' ' GLN . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.572 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.845 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.629 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.816 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.485 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.943 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.943 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' ASP . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.845 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.826 ' C ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.826 HD23 ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 41' ' ' GLN . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.775 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.7 t30 -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.702 ' OD1' HG23 ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.702 HG23 ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.84 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' CB ' HG11 ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.563 HG23 ' HG ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.413 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.4 t-80 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.41 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 41' ' ' GLN . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.744 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.82 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.721 HG23 ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.849 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.849 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.625 HG22 HG23 ' A' ' 10' ' ' VAL . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.6 t-80 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' GLN . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.72 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.895 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.751 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.959 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.959 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.795 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.895 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.006 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.006 HG23 ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.597 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 40' ' ' THR . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.824 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.853 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 25' ' ' SER . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.96 ' HB3' HG11 ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.736 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.853 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.88 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.4 t-80 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' GLN . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.695 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.728 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.884 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.695 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 25' ' ' SER . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.963 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.793 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.884 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.002 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.002 HG23 ' HG ' ' A' ' 55' ' ' LEU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.452 ' C ' ' HH ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.4 t-80 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.526 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t-80 -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.455 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 40' ' ' THR . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.835 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.669 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.832 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.505 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 25' ' ' SER . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.984 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.984 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.75 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.835 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.568 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.926 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.926 HG23 ' HG ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.528 0.204 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 54.2 t-80 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 41' ' ' GLN . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.817 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.685 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.685 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.484 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.752 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.408 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.817 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.439 ' N ' ' CD ' ' A' ' 1' ' ' GLU . 1.9 pm0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.85 -154.33 6.16 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.8 m -124.24 110.21 14.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.719 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.52 138.23 41.2 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.01 86.95 1.87 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.66 34.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.592 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.57 -174.04 19.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.59 2.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.932 -0.634 . . . . 0.0 109.794 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.12 44.93 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 27.13 71.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.21 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.31 172.43 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.17 133.35 47.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -136.2 147.54 47.68 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.826 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.39 117.03 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.4 m-20 -117.1 125.75 51.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.62 126.63 31.3 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.788 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.9 t-80 -102.98 154.27 19.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -163.56 129.56 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.6 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.69 37.68 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -130.85 -50.48 1.04 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.51 164.42 30.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.9 m -50.25 153.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.5 p-80 -152.7 155.16 36.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.0 p -147.61 135.67 21.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.34 121.11 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.4 m -118.15 136.3 53.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.819 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.22 127.01 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.57 137.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.521 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.8 t30 -98.4 107.68 20.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.67 80.53 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.718 ' OD1' HG23 ' A' ' 33' ' ' THR . 7.8 t-20 -162.51 -58.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.718 HG23 ' OD1' ' A' ' 32' ' ' ASN . 46.9 p -110.82 -15.74 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.98 161.24 17.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.846 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -164.86 142.2 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.521 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.94 178.17 22.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.782 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 178.75 139.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.741 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.68 84.3 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.9 m -79.29 134.03 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.3 mm-40 -147.98 171.69 15.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -169.93 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 128.8 37.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.2 74.17 1.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.92 163.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.9 m95 -108.46 112.8 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.009 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.64 102.24 14.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.66 117.27 31.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.61 149.04 30.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.729 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -145.65 147.84 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.846 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.82 143.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.59 -178.09 51.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER 142.48 94.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 0.783 . . . . 0.0 110.319 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -162.51 -72.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.7 tp -156.03 169.08 25.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.619 ' CG2' HG23 ' A' ' 10' ' ' VAL . 5.2 p -29.89 134.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 5.2 pt-20 -172.35 165.87 5.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 4.1 mmtp -91.97 169.61 10.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.86 158.03 27.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.8 116.1 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -103.54 126.11 50.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.5 m-85 -127.8 161.12 29.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.823 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.99 172.91 16.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.909 -0.567 . . . . 0.0 109.8 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.15 -178.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.22 150.58 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.64 47.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.4 m -126.95 112.23 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -104.67 138.1 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -144.4 86.66 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 137.45 38.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.657 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 -170.52 15.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.58 111.16 2.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.815 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.41 45.17 3.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 28.75 71.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 155.99 -40.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.8 170.2 16.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.2 134.32 53.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.509 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -135.51 147.11 48.7 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.799 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.69 117.76 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.6 m-20 -117.93 124.12 47.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.41 126.2 32.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.826 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.7 t-80 -101.78 154.07 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.58 133.13 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.86 38.97 1.77 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 p -133.59 -46.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.976 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -148.08 163.75 35.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 41' ' ' GLN . 55.4 m -49.37 153.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.7 p-80 -153.72 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.553 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -148.67 137.7 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.86 120.35 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.8 m -117.1 134.71 54.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.793 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.67 125.59 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -113.03 136.94 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.9 t30 -98.08 108.5 21.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -94.26 81.28 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.683 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -164.11 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.04 -13.85 14.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.79 59.14 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.724 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.33 155.07 29.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.39 145.47 16.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.23 26.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.702 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.95 142.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.52 82.85 2.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.553 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.5 m -79.18 135.52 36.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.954 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -148.21 171.47 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -169.78 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.3 129.02 37.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.9 74.18 1.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -177.78 162.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.803 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.8 m95 -107.61 112.96 25.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.32 102.44 14.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.11 117.6 32.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.38 153.31 25.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.0 147.78 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.874 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.05 146.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.82 -175.16 50.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 11.0 ttm-85 145.57 105.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -173.07 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.918 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.6 138.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.918 HG23 ' HG ' ' A' ' 55' ' ' LEU . 65.0 p 48.17 100.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -170.54 154.11 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -92.2 163.38 13.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.53 152.61 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.44 116.96 28.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -102.8 128.0 49.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -129.9 161.67 30.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.819 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.95 172.54 16.74 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.813 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.3 m120 -178.02 -179.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.27 150.69 18.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.42 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 22.3 p90 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.62 -154.21 21.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.3 m -129.16 108.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.679 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.37 137.89 41.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -144.47 87.34 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 134.85 44.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.27 -170.49 13.1 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.55 109.82 2.64 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.804 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.34 45.59 3.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.15 71.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.33 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.35 171.05 15.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.52 136.83 53.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.6 p90 -139.03 147.18 41.75 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.806 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.25 119.19 9.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.056 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.8 m-20 -118.88 122.02 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.679 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.13 126.22 33.17 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.807 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.1 t-80 -101.55 152.56 20.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -162.16 130.36 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.578 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.29 38.03 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.57 -50.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.43 164.42 31.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 41' ' ' GLN . 86.8 m -49.7 152.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.7 p-80 -152.95 154.33 34.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.546 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -147.44 133.03 18.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.84 ' HB3' ' OD1' ' A' ' 39' ' ' ASP . . . -109.42 117.21 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -111.97 135.96 51.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.828 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.56 125.06 21.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -112.17 137.1 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 48.2 t30 -98.87 105.68 17.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -91.47 79.85 5.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.684 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.4 -59.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.684 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.49 -14.62 14.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 110.401 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.18 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.46 162.12 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.804 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.01 140.46 4.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.66 -179.92 22.26 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -174.73 145.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.84 ' OD1' ' HB3' ' A' ' 26' ' ' ALA . 11.8 p30 -128.85 75.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.1 m -76.66 127.47 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.429 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.961 ' HB3' HG11 ' A' ' 45' ' ' VAL . 24.0 mm-40 -147.48 171.52 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -170.89 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.246 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.52 127.94 34.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.45 74.74 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.961 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.4 p -177.4 160.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 23.6 m95 -104.22 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.024 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.796 ' HB1' ' OD1' ' A' ' 39' ' ' ASP . . . -89.85 103.12 15.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -116.09 114.72 24.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' N ' ' OD2' ' A' ' 39' ' ' ASP . . . -108.44 158.52 17.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.734 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -153.56 147.42 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.359 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.828 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.35 141.22 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.702 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.33 -174.24 39.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.702 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 139.78 95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -156.62 -75.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 168.74 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.599 HG23 ' HG ' ' A' ' 55' ' ' LEU . 29.8 p 50.09 105.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.378 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -164.61 161.16 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -90.83 172.11 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.97 150.2 6.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.5 116.52 27.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.67 128.44 47.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.4 m-85 -131.36 161.17 33.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.841 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.28 172.03 19.35 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.919 -0.562 . . . . 0.0 109.815 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.571 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 11.8 m-20 -176.43 -178.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.02 150.86 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 107.976 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.33 -177.58 46.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.4 m -122.89 112.02 17.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.91 40.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 108.028 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -145.19 84.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.92 132.99 42.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -140.53 -171.91 12.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.97 106.58 2.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.005 -0.597 . . . . 0.0 109.833 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.13 47.62 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 25.51 71.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.07 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.594 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.6 173.07 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.1 128.26 44.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.2 p90 -129.04 147.32 50.89 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.65 118.39 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.3 m-20 -119.2 122.12 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.14 127.65 38.47 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.5 t-80 -103.53 152.29 21.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.22 129.78 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.33 37.72 2.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -131.01 -50.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 110.007 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.69 164.07 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 41' ' ' GLN . 48.9 m -48.86 153.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.397 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.4 p-80 -153.79 155.03 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.484 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -147.6 137.87 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.8 117.69 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.41 135.01 54.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.02 127.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -114.23 136.52 50.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 46.5 t30 -96.23 121.61 38.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -102.41 85.39 2.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.505 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 12.4 t-20 -170.02 -57.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.5 p -110.78 -13.11 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.24 57.4 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.477 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -105.67 162.44 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.766 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.81 138.5 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.471 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.75 173.48 26.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 27' ' ' THR . 18.4 pttt -176.03 141.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.4 80.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.484 HG23 ' OG ' ' A' ' 25' ' ' SER . 44.8 m -75.94 135.27 40.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.385 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.958 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.9 mm-40 -147.81 172.0 14.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -170.47 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.03 128.68 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.31 73.76 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.64 162.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.0 m95 -107.17 113.46 26.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.51 102.33 14.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.26 118.68 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.49 156.92 20.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.741 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -152.67 146.36 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.823 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.12 143.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.691 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.28 -172.61 43.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.691 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.4 ttm180 140.76 92.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -151.44 -72.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.17 132.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.4 p 46.31 99.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -166.36 156.51 12.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 1.3 mmpt? -93.5 173.47 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.42 167.54 23.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -126.64 118.31 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -104.25 127.98 51.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.6 m-85 -129.49 159.54 35.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.834 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.32 173.37 16.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.814 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.583 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -178.38 -178.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.25 152.55 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 1' ' ' GLU . . . 33.49 -148.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.9 m -105.52 105.21 15.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.701 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -103.27 138.01 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.7 mm-40 -144.56 87.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.66 -173.82 14.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.137 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.04 103.88 1.49 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.999 -0.6 . . . . 0.0 109.837 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.2 47.12 3.52 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 26.87 70.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 0.727 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER 157.64 -39.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -132.29 171.0 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.28 128.88 42.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.4 p90 -131.15 148.38 52.71 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.87 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 116.81 6.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.6 m-20 -116.25 124.39 50.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -131.77 128.38 38.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.819 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.7 t-80 -108.03 157.19 18.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -166.66 140.16 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.68 43.82 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -139.88 -46.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 11.2 pttt -146.96 155.85 42.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' GLN . 50.6 m -43.81 155.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.705 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.3 p-80 -153.01 156.02 38.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 p -148.64 138.65 22.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.64 118.46 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.2 m -116.73 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -138.33 126.16 29.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -113.26 137.21 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.501 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.0 t30 -98.42 105.3 17.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -91.72 79.87 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.95 -60.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.662 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.7 p -107.51 -15.28 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.34 59.63 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.31 161.15 18.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.815 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.21 140.8 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.504 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.7 173.69 26.83 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' HG23 ' A' ' 27' ' ' THR . 19.7 pttt -175.76 141.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 82.28 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 86.5 m -78.13 135.05 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.963 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.8 172.58 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -169.88 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 131.1 44.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 84.17 75.68 1.2 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.1 p -178.35 163.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.0 m95 -108.44 114.84 29.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -95.23 102.24 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.0 117.48 32.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.71 154.07 24.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.758 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.67 147.81 28.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.43 143.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.46 -176.02 46.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.668 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.3 tpt85 143.27 101.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -166.92 -74.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.846 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 161.09 138.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.846 HG23 ' HG ' ' A' ' 55' ' ' LEU . 81.6 p 48.21 102.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' O ' ' OH ' ' A' ' 8' ' ' TYR . 1.6 pt-20 -174.16 158.37 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 45.4 mmtt -97.94 174.36 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.11 151.08 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -113.53 116.78 30.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.019 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -102.84 128.26 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.9 m-85 -130.22 160.92 32.39 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.794 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.38 173.65 15.32 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.959 -0.543 . . . . 0.0 109.84 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -179.51 -178.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 146.34 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.9 p90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 47.11 -156.14 0.74 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.7 m -127.54 112.81 15.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 110.353 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -105.28 138.38 41.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.62 83.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.33 136.42 38.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.16 -169.79 13.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -158.43 107.68 2.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.806 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.65 44.71 3.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.68 72.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.579 ' HG ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER 155.06 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.515 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.78 170.56 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.003 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.94 129.5 48.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -131.18 148.12 52.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.861 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.75 116.79 6.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.2 m-20 -117.06 122.91 45.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.703 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.6 127.9 39.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.792 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.4 153.11 20.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.572 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -162.44 132.99 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.59 38.51 1.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 p -133.1 -47.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.64 164.17 33.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 41' ' ' GLN . 57.4 m -50.63 153.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.7 p-80 -153.22 155.77 37.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.8 p -147.93 137.69 22.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.4 118.0 33.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.1 m -115.62 132.63 56.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.78 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -136.61 126.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -112.51 137.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 47.9 t30 -98.66 105.64 17.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.97 80.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -162.86 -59.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.56 -14.1 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.19 58.69 0.96 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -112.78 160.67 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.758 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.3 pm0 -164.06 137.32 5.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.493 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -137.54 175.18 21.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.48 134.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -128.63 79.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 92.2 m -76.4 134.92 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -148.12 172.08 14.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -169.83 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.84 128.26 35.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.32 74.64 1.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.9 m95 -108.75 112.0 24.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 108.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.43 102.8 15.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.7 115.11 28.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -108.74 146.99 32.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.45 148.53 33.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.78 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.37 145.96 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 84.11 -171.17 48.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.1 tpt180 141.29 99.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -164.57 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 160.56 139.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 ' HG ' ' A' ' 55' ' ' LEU . 28.0 p 46.48 98.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.2 pm0 -167.57 153.37 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 6.2 mttt -92.67 163.73 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.83 151.72 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.21 117.41 30.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -103.01 128.05 50.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.2 m-85 -130.41 161.22 31.85 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.834 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -159.77 172.72 17.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.853 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.6 m120 -177.91 -178.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.94 149.99 18.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 107.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.454 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -58.64 -153.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -119.76 107.27 12.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.773 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -103.5 138.89 39.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.009 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -144.65 82.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.29 131.89 39.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -139.87 -173.03 13.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.7 105.34 2.21 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.001 -0.6 . . . . 0.0 109.787 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.45 49.17 3.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 23.75 70.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.23 -37.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.586 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 172.66 12.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.954 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 130.32 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -131.23 147.66 52.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.784 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.83 118.49 8.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.8 m-20 -119.98 121.96 40.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.773 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.2 129.64 41.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.82 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.0 t-80 -103.48 152.19 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 0.8 OUTLIER -162.15 131.81 4.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.58 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.1 37.99 1.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.457 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 37.4 p -132.2 -45.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 3.8 pttp -149.57 156.04 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 41' ' ' GLN . 89.8 m -42.7 153.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.2 p-80 -154.37 156.57 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 p -148.55 139.15 22.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.35 115.66 26.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.612 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -113.31 136.22 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.822 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.89 125.8 25.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.9 137.16 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.9 t30 -97.99 107.53 20.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -93.03 81.15 4.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.656 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -164.65 -59.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.656 HG23 ' OD1' ' A' ' 32' ' ' ASN . 26.6 p -107.87 -15.09 14.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.57 59.32 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.2 161.42 17.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.8 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.15 140.45 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.45 174.52 26.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.41 141.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.784 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.69 81.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 90.0 m -77.04 134.76 38.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.3 mm-40 -147.69 172.3 14.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -170.15 2.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 126.02 28.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 91.22 74.02 1.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.69 163.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.3 m95 -107.53 112.75 25.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.06 102.65 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.02 116.65 30.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.72 155.66 21.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.742 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -151.52 147.07 26.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.822 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.56 144.0 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 87.68 -174.0 44.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.693 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER 140.65 97.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.306 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -162.33 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 160.72 136.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.444 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 18.0 p 46.23 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 56' ' ' THR . 1.3 pm0 -165.25 157.62 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -93.43 173.87 7.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 150.78 10.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.45 117.06 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.25 128.81 48.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.4 m-85 -130.83 161.56 31.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.63 14.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.939 -0.553 . . . . 0.0 109.789 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 10.8 m-20 179.46 178.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.3 150.2 23.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 29.5 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 107.994 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.565 ' CD ' ' HE2' ' A' ' 19' ' ' HIS . 17.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.04 -158.55 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.5 m -122.41 112.37 18.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.363 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.721 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.2 t90 -105.44 138.76 41.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -145.24 85.84 1.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.75 135.45 39.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -170.3 13.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.13 105.69 2.55 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.985 -0.608 . . . . 0.0 109.796 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.27 51.53 3.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER 21.64 68.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.44 -39.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.03 170.63 15.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 131.36 53.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -130.77 147.2 52.4 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.788 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.82 118.37 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.7 m-20 -118.84 125.36 49.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.721 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -132.74 128.8 37.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.834 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -104.21 152.77 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.565 ' HE2' ' CD ' ' A' ' 1' ' ' GLU . 1.4 t-80 -163.86 130.6 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -130.33 38.96 1.87 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.44 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -132.25 -48.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -146.24 164.39 32.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' GLN . 81.2 m -50.6 152.35 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.0 p-80 -151.88 156.74 40.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 p -150.43 136.73 18.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -112.73 118.22 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -114.22 134.85 54.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -138.46 124.34 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.35 137.64 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 40.0 t30 -101.52 90.6 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -78.64 83.72 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.667 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -166.24 -59.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' OD1' ' A' ' 32' ' ' ASN . 27.9 p -106.71 -14.26 15.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.62 55.76 1.07 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.725 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -115.56 153.85 30.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.878 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -160.24 144.67 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.27 178.77 24.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.5 146.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 12.2 t0 -132.64 76.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 88.5 m -78.28 133.21 37.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.965 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.6 mm-40 -149.75 172.12 15.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -172.26 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.47 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.83 74.59 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.965 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.89 163.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.6 m95 -107.29 111.05 23.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.23 104.03 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 123.97 51.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.25 150.23 40.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.808 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.84 148.55 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.878 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.67 146.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 90.12 -173.37 39.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 3.9 tpt180 144.94 98.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.347 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -152.14 -72.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER 164.16 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' ' 55' ' ' LEU . 1.1 p -147.99 116.28 6.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 179.97 157.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -91.57 175.02 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.42 150.67 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -115.63 115.79 27.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -100.67 130.55 46.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.4 m-85 -132.99 160.85 35.93 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.827 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -158.25 172.64 18.01 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.833 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -177.35 -177.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.15 149.19 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -65.21 -156.33 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -119.29 105.08 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.4 t90 -104.69 137.98 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.23 85.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 136.3 40.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.48 -171.07 14.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.74 108.14 2.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.848 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.26 47.65 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 24.82 70.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.236 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.59 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.07 169.7 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.016 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.85 133.0 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.78 147.76 50.06 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.807 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.22 117.32 7.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.5 m-20 -117.81 123.79 46.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.69 126.97 33.78 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.817 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.3 t-80 -104.19 155.3 18.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.6 t-80 -165.84 134.61 3.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.1 40.61 1.58 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.545 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -133.7 -47.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 110.012 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 9.8 pttp -147.61 156.28 42.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 41' ' ' GLN . 34.5 m -43.71 153.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.3 p-80 -152.85 155.32 36.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.608 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.6 p -146.87 138.06 24.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -115.13 116.53 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.6 m -114.52 134.63 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.788 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.6 p -137.73 125.14 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.0 t -112.74 136.78 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.47 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 43.0 t30 -98.62 105.0 17.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -91.54 80.31 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.678 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -162.5 -59.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.678 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.1 p -109.35 -13.63 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.18 59.01 0.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.709 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 154.86 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.273 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.876 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -159.63 145.11 15.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.544 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.44 175.0 27.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 0.0 111.035 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 pptp? -176.64 142.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.42 81.72 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' ' 25' ' ' SER . 89.2 m -77.27 134.74 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.431 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.0 mm-40 -147.92 172.42 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 -170.25 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.33 128.26 35.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.38 74.44 1.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.07 163.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.9 m95 -108.31 113.15 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.15 102.15 14.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -113.1 116.25 29.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.82 152.77 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.786 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.31 147.98 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.383 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.876 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.17 146.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.679 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.3 -174.19 46.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.679 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.2 tpt180 142.07 99.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 1.1 m120 -161.91 -77.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER 169.54 123.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.532 HG23 ' HG ' ' A' ' 55' ' ' LEU . 31.7 p 50.44 107.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 1.3 pm0 -165.93 159.66 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' C ' ' OH ' ' A' ' 8' ' ' TYR . 12.6 mttt -91.51 164.17 13.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.99 151.18 21.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.32 116.57 27.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -101.83 128.34 48.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.7 m-85 -130.33 161.21 31.8 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.85 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.27 173.47 14.99 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.934 -0.555 . . . . 0.0 109.846 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 2.4 m120 178.09 177.66 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' HB2' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -156.79 150.0 24.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.624 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 34.6 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.97 -154.61 9.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.3 m -125.21 108.79 12.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.6 t90 -104.45 138.48 40.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.3 mm-40 -143.78 81.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 134.04 39.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.583 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.88 -170.83 14.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.62 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -157.06 110.4 2.58 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.983 -0.609 . . . . 0.0 109.832 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.556 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.46 45.2 3.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 28.18 72.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 0.74 . . . . 0.0 109.332 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.91 -38.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.97 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.91 170.69 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.33 134.59 53.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.5 p90 -136.02 147.44 47.95 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.841 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.86 117.59 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.0 m-20 -118.62 122.43 42.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.59 128.66 39.67 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.813 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.1 t-80 -102.54 153.31 20.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.645 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -162.6 131.11 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.87 36.51 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 34.3 p -131.57 -46.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 0.719 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 6.7 pttp -147.98 156.23 42.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -43.29 154.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.8 p-80 -154.11 156.11 36.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 32.1 p -148.06 137.68 22.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.85 113.53 24.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.3 m -111.4 134.78 52.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.37 125.86 33.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.09 137.05 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.466 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 43.6 t30 -98.0 113.42 25.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -98.34 83.65 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.7 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.3 t-20 -167.37 -59.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.7 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.7 p -109.5 -12.98 14.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.18 58.76 1.07 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.716 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.27 155.24 26.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.87 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.52 145.0 15.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -141.71 -167.83 11.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.776 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 164.12 139.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -134.0 80.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 90.5 m -75.72 134.88 40.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.958 ' CB ' HG11 ' A' ' 45' ' ' VAL . 28.6 mm-40 -147.76 172.52 13.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -170.21 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.55 127.06 31.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 90.27 73.48 1.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.958 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.55 163.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.44 112.99 26.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.21 101.98 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.61 115.9 29.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.86 149.95 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.802 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.07 149.14 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -171.23 147.02 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.97 -176.21 48.88 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.651 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.9 ttm-85 144.35 104.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.767 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -173.2 -73.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.927 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 159.4 138.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.927 HG23 ' HG ' ' A' ' 55' ' ' LEU . 71.7 p 48.15 100.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.5 pm0 -171.01 154.31 4.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.0 mtmm -94.44 164.81 12.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.92 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.26 118.43 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -102.95 128.15 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.0 m-85 -130.05 161.45 30.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.864 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.35 173.35 15.08 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.846 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.498 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.1 m120 179.6 178.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.62 151.72 24.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.004 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.44 -157.13 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 m -123.0 114.78 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.414 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.716 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.3 t90 -104.9 138.73 40.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.0 OUTLIER -145.51 83.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.09 137.5 36.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.599 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -145.96 -173.16 16.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.18 108.58 2.82 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.05 -0.575 . . . . 0.0 109.837 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -81.88 45.54 3.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.2 71.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.346 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER 156.06 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.58 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -134.48 172.7 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.71 133.55 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.9 p90 -135.94 147.61 48.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.876 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.64 117.4 7.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.8 m-20 -117.31 123.31 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.716 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.25 127.66 38.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.792 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.6 t-80 -103.6 152.71 21.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.81 133.22 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.6 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.69 38.47 1.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.6 p -133.2 -47.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.58 164.0 34.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 41' ' ' GLN . 64.7 m -50.67 153.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.5 p-80 -153.12 155.92 37.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 p -148.03 137.31 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -113.11 117.88 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.5 m -115.83 132.57 56.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.784 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -136.52 125.72 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -112.92 137.26 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.485 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 48.0 t30 -98.62 106.22 18.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.92 80.78 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.4 t-20 -162.97 -59.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 30.2 p -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.23 59.49 0.93 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.721 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -117.08 153.53 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 110.331 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.889 ' C ' HG11 ' A' ' 51' ' ' VAL . 5.6 pt20 -156.61 145.85 20.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -144.97 174.2 25.14 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -176.9 137.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.55 80.26 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.403 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 87.5 m -76.21 134.77 39.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.392 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.7 mm-40 -147.87 171.28 15.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -170.08 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.73 128.54 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.06 74.76 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.81 163.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 29.0 m95 -108.15 112.19 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 108.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -92.45 102.77 15.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.83 115.13 28.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.28 146.75 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.791 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.28 148.7 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.889 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.46 146.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.641 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 83.01 -176.34 53.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.641 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 2.8 ttt180 145.92 105.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -170.57 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 159.77 137.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 55' ' ' LEU . 19.2 p 46.73 99.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 11' ' ' SER . 1.1 pm0 -166.37 157.92 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -91.27 172.73 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -165.89 150.54 8.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.82 117.1 28.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -103.01 128.07 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.1 m-85 -130.3 161.59 30.9 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.851 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.5 172.75 16.65 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.814 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.9 m120 -178.46 -179.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.11 150.6 20.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.416 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.6 p90 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 107.982 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.28 -157.58 28.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 m -120.62 104.3 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.72 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.4 t90 -104.89 137.51 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.4 mm-40 -141.22 81.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.36 137.44 32.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.02 -172.04 14.49 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.507 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -162.26 100.84 1.08 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.86 -0.591 . . . . 0.0 109.815 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.622 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -75.93 52.31 2.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.2 p 21.15 70.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 155.8 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -133.91 168.33 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.44 130.82 51.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -132.12 147.24 52.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.813 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 116.95 8.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 5.7 m-20 -118.19 121.58 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.72 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -130.44 127.36 39.1 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.841 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.9 t-80 -100.51 153.83 19.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -162.62 131.55 4.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.633 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.93 37.93 1.94 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.4 p -132.15 -48.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.75 164.01 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 41' ' ' GLN . 58.0 m -49.35 153.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.79 156.01 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.7 p -147.35 139.3 24.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.96 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.9 m -110.12 134.69 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.388 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.9 126.03 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.58 137.0 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.6 t30 -98.48 106.7 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -92.73 80.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.688 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.5 t-20 -163.16 -59.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' OD1' ' A' ' 32' ' ' ASN . 31.3 p -109.06 -14.2 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.49 59.34 0.92 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.723 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.83 155.07 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 110.314 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.873 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -159.48 145.33 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.2 -174.65 17.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER 172.13 141.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -132.98 80.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 91.1 m -75.95 134.47 40.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.379 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.951 ' HB3' HG11 ' A' ' 45' ' ' VAL . 27.7 mm-40 -147.57 172.48 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.14 -169.92 2.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.08 129.15 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.41 73.84 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.3 p -177.35 162.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.2 m95 -107.1 113.36 26.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 108.042 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.55 101.62 13.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.85 115.92 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.62 152.82 25.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.778 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -149.11 148.19 29.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.873 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.13 146.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.88 -171.38 44.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.689 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 141.19 97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.57 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -162.75 -74.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 158.94 137.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 55' ' ' LEU . 26.8 p 46.51 97.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -165.85 160.28 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.23 172.79 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.79 151.18 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -117.86 117.26 28.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -103.5 128.25 50.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.8 m-85 -130.19 161.71 30.53 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.803 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.47 172.85 15.75 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.847 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.597 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.0 m120 -178.52 -178.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.01 150.62 18.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 26.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 107.957 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . -47.77 177.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.6 m -89.72 108.71 19.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.68 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 11.1 t90 -107.2 138.87 42.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 2.2 mm-40 -144.79 90.91 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -101.33 134.49 44.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.85 -171.7 14.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.44 104.19 2.73 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.856 -0.592 . . . . 0.0 109.836 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.623 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -73.76 54.3 2.1 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 10' ' ' VAL . 1.4 p 19.05 67.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 158.16 -38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.528 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.04 171.62 14.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.27 135.31 54.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 1.6 p90 -133.9 146.83 50.91 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.31 119.56 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.1 m-20 -120.34 125.52 48.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.68 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -133.05 126.43 31.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.857 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 55.5 t-80 -104.02 155.76 18.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -163.98 139.58 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.585 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -138.01 44.63 1.11 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.54 -43.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -149.6 163.18 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 41' ' ' GLN . 51.8 m -50.6 153.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' CE1' HG12 ' A' ' 45' ' ' VAL . 31.7 p-80 -151.83 155.04 37.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -148.97 137.8 21.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.95 117.99 32.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 m -114.86 136.17 53.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.845 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.26 125.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.5 t -113.28 137.38 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 43.4 t30 -99.82 104.24 15.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -90.48 84.24 5.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.629 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -168.69 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.629 HG23 ' OD1' ' A' ' 32' ' ' ASN . 23.6 p -106.97 -15.71 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 110.393 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 59.34 0.93 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.3 161.7 16.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.816 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -166.69 139.25 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.06 178.12 23.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.12 146.52 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.485 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 14.4 t0 -133.03 77.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 36.0 m -79.41 133.12 36.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.943 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.38 172.16 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.25 -171.67 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 133.21 48.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 82.57 74.41 1.19 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.943 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.2 163.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.6 m95 -108.24 113.35 26.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 107.978 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 39' ' ' ASP . . . -92.04 103.64 16.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 126.88 55.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.55 152.28 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.749 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -148.78 147.74 29.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.431 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.845 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -169.6 141.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.65 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 93.5 -174.97 35.47 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 4.2 tpt180 144.2 98.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 0.802 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.826 ' C ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.13 -76.37 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.826 HD23 ' C ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER -176.26 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 43.7 p -140.93 125.69 18.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -177.1 164.07 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -95.64 177.06 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.59 150.5 10.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -114.16 116.56 29.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.97 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -100.92 130.48 46.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 27.2 m-85 -132.65 158.68 41.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.804 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -157.2 172.35 18.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.926 -0.559 . . . . 0.0 109.805 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.07 -178.14 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.7 147.56 15.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.468 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 20.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 108.033 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.44 -163.38 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.3 m -128.53 110.86 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -104.85 138.64 40.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.79 86.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 137.38 38.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.608 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 -171.24 15.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.55 109.57 2.85 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.826 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.97 44.98 3.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.571 1.17 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 27.27 71.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.22 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -138.94 170.81 15.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.59 133.11 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -133.94 147.3 51.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.854 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 117.62 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.5 m-20 -117.53 123.98 47.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.704 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.4 OUTLIER -131.73 127.95 37.89 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.867 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.8 t-80 -103.69 152.47 21.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.559 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -161.89 132.83 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.625 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.55 38.6 1.83 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.5 p -133.24 -47.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.42 164.08 33.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 41' ' ' GLN . 72.4 m -50.72 153.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.564 ' CE1' HG12 ' A' ' 45' ' ' VAL . 27.2 p-80 -153.99 155.83 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB3' HG23 ' A' ' 40' ' ' THR . 52.0 p -148.04 136.99 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.52 117.96 33.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HB3' ' A' ' 38' ' ' LYS . 5.0 m -116.04 132.63 56.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.775 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -136.85 126.12 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.1 t -111.66 137.97 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 44.7 t30 -98.37 105.58 17.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -91.85 80.29 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.702 ' OD1' HG23 ' A' ' 33' ' ' THR . 3.0 t-20 -162.77 -58.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.702 HG23 ' OD1' ' A' ' 32' ' ' ASN . 34.8 p -110.96 -14.68 13.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.374 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.71 59.14 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -115.56 155.02 28.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.84 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -157.6 142.34 16.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -139.5 175.65 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.85 134.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.259 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.8 79.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 89.0 m -76.03 135.13 39.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' CB ' HG11 ' A' ' 45' ' ' VAL . 29.1 mm-40 -148.21 171.22 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -89.26 -170.06 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.97 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 88.78 75.04 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' CB ' ' A' ' 41' ' ' GLN . 1.3 p -177.72 163.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.9 m95 -108.74 111.14 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 107.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -91.65 103.06 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.8 114.86 28.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.04 145.7 35.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.755 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -144.09 149.1 36.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.84 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.49 146.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.675 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.53 -174.77 48.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.675 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 142.55 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.275 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -151.32 -74.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER 169.35 113.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.563 HG23 ' HG ' ' A' ' 55' ' ' LEU . 18.9 p 54.72 120.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.487 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -177.5 161.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.251 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -88.22 169.19 12.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.78 152.09 13.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.14 116.52 27.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.57 127.46 49.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.5 m-85 -129.59 161.32 30.8 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.834 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.53 172.51 17.06 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.881 -0.581 . . . . 0.0 109.833 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.18 -179.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -158.98 150.25 20.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.413 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 24.4 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.57 -156.37 26.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -128.38 112.35 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.3 t90 -105.3 137.7 42.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 108.004 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -143.72 85.44 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.15 138.51 35.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.639 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -147.17 -173.99 18.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.88 108.48 3.08 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.003 -0.599 . . . . 0.0 109.805 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.57 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -82.24 45.37 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.66 71.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.24 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.69 173.16 12.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.02 131.37 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 3.0 p90 -133.35 147.9 51.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.95 116.2 6.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -116.4 125.46 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -132.97 127.41 34.15 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.83 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 53.4 t-80 -104.12 154.87 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.41 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 1.4 t-80 -162.71 132.86 4.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.33 39.19 1.81 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.41 ' HG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -134.71 -51.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 164.39 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 41' ' ' GLN . 52.8 m -50.82 153.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.744 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.2 p-80 -150.01 158.4 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -151.57 135.27 16.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.25 117.92 32.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -114.71 135.65 53.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.82 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.5 p -139.04 126.71 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -112.51 137.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.52 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.0 t30 -98.49 107.78 20.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -93.24 81.07 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 33' ' ' THR . 8.9 t-20 -163.27 -58.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.721 HG23 ' OD1' ' A' ' 32' ' ' ASN . 50.1 p -110.4 -16.09 13.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.77 58.85 0.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -111.83 162.53 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.299 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.849 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -165.83 141.46 4.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -145.41 177.98 23.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -175.13 145.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' CG ' ' HA ' ' A' ' 47' ' ' ALA . 14.1 t0 -131.25 76.56 1.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 41' ' ' GLN . 16.9 m -77.68 131.89 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.414 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.973 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.4 mm-40 -149.48 170.92 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -172.54 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.0 131.65 45.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 83.98 75.03 1.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -177.94 164.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 27.2 m95 -107.32 114.65 28.82 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.34 102.61 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.5 123.03 49.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.7 146.36 43.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -144.16 148.0 34.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.849 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.38 143.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.717 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.13 -175.18 49.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.555 1.16 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 8.2 ttp180 137.11 90.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -62.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' A' ' 56' ' ' THR . 13.8 tp -166.19 169.68 14.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.625 HG22 HG23 ' A' ' 10' ' ' VAL . 82.2 p -30.37 138.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' CZ ' ' A' ' 8' ' ' TYR . 3.6 pt-20 -177.84 164.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -88.94 171.16 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.33 160.74 30.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -122.02 116.67 24.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.51 126.48 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 110.977 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -128.39 161.16 30.09 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.823 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.55 173.8 14.28 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.906 -0.569 . . . . 0.0 109.828 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 179.09 -179.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.22 151.3 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.632 ' O ' ' CD1' ' A' ' 66' ' ' TRP . 35.1 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 1' ' ' GLU . . . -64.14 -154.13 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 m -120.27 109.12 15.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.785 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.8 t90 -105.5 139.13 40.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 108.023 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -144.62 82.19 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.28 134.67 36.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -143.59 -175.64 16.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -153.21 104.39 2.79 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.841 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -77.21 50.57 3.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 22.17 69.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.335 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.27 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.12 132.47 50.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.514 ' CZ ' ' HA3' ' A' ' 7' ' ' GLY . 3.1 p90 -133.12 148.46 52.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.84 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.96 116.92 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.9 m-20 -118.54 122.3 42.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.785 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -131.65 130.2 41.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.863 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 56.6 t-80 -105.46 154.04 20.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.639 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -163.08 128.24 3.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.608 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.48 36.85 2.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.41 -51.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -143.63 165.08 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' GLN . 59.5 m -50.74 153.46 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 45' ' ' VAL . 25.3 p-80 -152.85 156.42 38.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.565 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HB3' HG23 ' A' ' 40' ' ' THR . 27.9 p -148.27 138.25 22.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.75 114.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.8 m -112.3 135.36 53.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.2 p -139.02 126.1 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -113.29 137.87 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 44.1 t30 -99.44 111.52 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -96.74 84.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.72 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.4 t-20 -167.44 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.72 HG23 ' OD1' ' A' ' 32' ' ' ASN . 41.8 p -110.64 -13.22 14.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.401 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.96 58.63 1.03 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.143 . . . . 0.0 111.043 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.72 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.66 155.26 26.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.895 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.26 145.55 14.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.554 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.95 177.54 26.14 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.53 1.143 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.751 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.1 OUTLIER 179.72 140.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -130.98 81.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 25' ' ' SER . 86.8 m -77.3 134.46 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.959 ' HB3' HG11 ' A' ' 45' ' ' VAL . 28.1 mm-40 -147.7 172.67 13.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.8 -170.75 2.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.12 129.0 38.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.85 73.53 1.28 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.959 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.6 163.14 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 26.5 m95 -107.62 114.33 28.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.47 101.45 13.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.87 116.3 30.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.47 151.61 27.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.795 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -147.96 148.73 31.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.391 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.895 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.91 146.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.667 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 85.92 -176.36 49.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.667 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.8 tpt180 143.06 95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -159.63 -73.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.006 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.4 OUTLIER 160.56 134.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.006 HG23 ' HG ' ' A' ' 55' ' ' LEU . 38.6 p 48.5 101.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.452 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -171.78 150.59 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -91.5 173.13 8.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.55 174.07 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -136.12 118.67 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.64 127.08 51.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 60' ' ' SER . 20.4 m-85 -128.17 154.41 45.82 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.822 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -155.09 174.03 15.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.879 -0.582 . . . . 0.0 109.826 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.534 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 10.6 m-20 179.69 -179.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -157.92 151.98 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 28.8 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 107.999 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 45.52 -158.36 0.27 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -129.76 112.21 13.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.733 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 9.5 t90 -104.48 138.67 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.2 mm-40 -144.91 84.5 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.93 135.35 39.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.611 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -144.67 -171.6 14.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.123 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -158.42 108.06 2.04 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.975 -0.613 . . . . 0.0 109.851 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.44 47.36 3.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.088 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 26.89 71.22 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 155.89 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.623 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -136.13 170.13 16.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.45 130.6 52.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.4 p90 -131.69 147.28 52.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.847 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.96 118.07 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.7 m-20 -118.86 122.51 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -130.94 126.23 35.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.835 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.2 t-80 -101.26 155.22 18.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -163.97 132.66 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.72 38.53 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.4 p -133.6 -47.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 0.796 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -146.63 163.71 34.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.5 m -50.01 153.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.597 ' CE1' HG12 ' A' ' 45' ' ' VAL . 26.0 p-80 -152.09 154.62 36.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.562 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HG23 ' A' ' 40' ' ' THR . 7.1 p -144.79 138.82 27.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -116.57 112.72 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -111.83 136.31 51.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.369 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.824 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -139.76 126.45 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.96 137.35 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.5 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 45.3 t30 -98.29 106.58 18.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -92.77 80.85 4.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.7 t-20 -163.6 -58.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.7 p -109.46 -15.63 14.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.9 59.37 0.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -113.61 162.15 16.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.322 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.853 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.82 141.85 5.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -147.5 174.41 27.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.11 142.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.12 81.24 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.411 HG23 ' HB3' ' A' ' 25' ' ' SER . 97.5 m -76.79 132.89 39.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.96 ' HB3' HG11 ' A' ' 45' ' ' VAL . 25.3 mm-40 -147.43 172.14 14.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.5 -169.55 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.28 130.01 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 86.5 73.98 1.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.85 162.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.1 m95 -107.98 114.01 27.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.4 101.36 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -112.35 115.82 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.95 151.97 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.736 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -147.65 147.89 30.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.853 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -169.99 142.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.706 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.76 -174.68 43.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.706 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 24.3 ttt-85 139.12 95.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.88 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -155.67 -74.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.88 HD23 ' O ' ' A' ' 54' ' ' ASN . 0.1 OUTLIER 174.17 111.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.879 HG22 ' O ' ' A' ' 55' ' ' LEU . 14.7 t 54.33 139.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER 165.87 166.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -94.43 167.79 11.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.71 152.44 19.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.43 116.7 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -103.09 127.34 50.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 28.2 m-85 -129.14 161.23 30.54 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.809 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.557 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -160.44 172.86 16.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.853 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.573 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.4 m120 -178.62 -179.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.68 150.6 19.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.944 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 23.7 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 19' ' ' HIS . 6.4 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 39.18 -158.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.163 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 m -131.19 110.85 11.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.367 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.763 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 6.2 t90 -102.17 136.66 41.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -140.78 79.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -89.7 140.19 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -148.65 -173.81 19.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -160.58 109.12 1.64 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.997 -0.602 . . . . 0.0 109.822 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -83.05 44.55 3.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER 29.18 71.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER 154.68 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.599 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.29 174.05 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 131.95 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.0 p90 -134.51 147.21 50.28 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.842 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.8 117.66 8.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 6.8 m-20 -118.9 121.92 41.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.3 OUTLIER -130.47 128.44 41.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.821 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 57.4 t-80 -103.48 152.36 21.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 21' ' ' SER . 1.3 t-80 -161.37 128.56 4.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.644 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -128.29 37.42 2.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -130.55 -50.86 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -144.77 164.11 32.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' GLN . 46.0 m -49.08 153.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' CE1' HG12 ' A' ' 45' ' ' VAL . 24.9 p-80 -153.95 154.68 34.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.653 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 40' ' ' THR . 0.5 OUTLIER -146.74 137.81 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -114.35 117.1 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.695 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.1 m -114.68 134.39 55.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.7 p -137.59 126.06 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.7 t -114.33 137.6 47.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' ND2' ' HA3' ' A' ' 52' ' ' GLY . 49.9 t30 -100.74 85.46 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 48.5 p-10 -74.54 75.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.2 t-20 -156.05 -61.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' OD1' ' A' ' 32' ' ' ASN . 28.5 p -106.93 -12.15 15.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.67 55.64 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.728 ' HD3' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.66 154.7 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.884 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -160.71 145.9 14.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -148.02 176.31 26.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.695 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.6 pttt -178.49 142.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -133.05 79.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 25' ' ' SER . 47.3 m -75.79 135.27 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.963 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.7 mm-40 -148.27 172.14 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -170.55 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.7 129.01 38.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.91 73.44 1.28 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.963 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.2 p -177.19 163.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 32.8 m95 -107.71 114.08 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -94.72 101.58 13.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.97 117.17 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.82 150.87 28.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.793 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -146.42 147.93 31.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.884 HG11 ' C ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -170.89 146.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.66 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 82.6 -178.84 53.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.66 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 26.6 ttm180 143.96 103.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -169.91 -71.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.002 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 158.53 139.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.002 HG23 ' HG ' ' A' ' 55' ' ' LEU . 50.1 p 48.29 101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.452 ' C ' ' HH ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -174.01 160.76 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' OD1' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -102.54 166.65 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.95 151.99 30.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -116.63 117.66 30.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.03 129.62 49.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 26.9 m-85 -131.69 162.62 30.01 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.825 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -162.17 173.15 14.69 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.887 -0.577 . . . . 0.0 109.829 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.592 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 2.2 m120 -177.93 -178.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -160.31 151.72 19.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.06 -158.43 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -126.04 109.77 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.416 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -105.56 138.41 41.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.5 mm-40 -143.73 74.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.14 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 14' ' ' TYR . . . -141.76 -172.62 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -156.14 105.23 2.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.998 -0.601 . . . . 0.0 109.847 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -78.12 49.43 3.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER 23.11 70.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER 156.01 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.597 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.78 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.79 132.57 49.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.8 p90 -134.52 147.8 50.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.86 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.52 118.11 8.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.953 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 4.1 m-20 -118.58 123.74 45.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -130.47 132.98 45.95 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.859 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 58.4 t-80 -112.5 142.45 45.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.615 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.526 ' CE1' ' NZ ' ' A' ' 22' ' ' LYS . 1.4 t-80 -154.34 129.05 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.93 37.39 2.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.455 ' OG ' ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -131.6 -50.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' NZ ' ' CE1' ' A' ' 19' ' ' HIS . 4.9 pttp -143.17 156.79 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 41' ' ' GLN . 53.1 m -45.19 154.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 45' ' ' VAL . 23.6 p-80 -152.9 154.25 34.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 40' ' ' THR . 54.3 p -142.4 139.32 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -117.26 114.47 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 38' ' ' LYS . 3.7 m -115.16 133.76 55.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.835 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.4 p -137.16 126.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.22 137.96 44.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.4 t30 -99.12 109.84 22.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -94.68 83.98 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' A' ' 33' ' ' THR . 1.7 t-20 -168.03 -58.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.669 HG23 ' OD1' ' A' ' 32' ' ' ASN . 29.9 p -108.78 -14.88 14.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.71 59.5 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -112.44 162.19 15.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.832 ' C ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -165.95 140.97 4.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.505 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -146.4 173.76 26.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.66 142.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -131.92 80.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 25' ' ' SER . 91.6 m -74.71 135.06 41.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.984 ' HB3' HG11 ' A' ' 45' ' ' VAL . 29.8 mm-40 -148.74 171.48 16.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -169.62 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 126.53 29.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 89.53 76.67 1.31 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.984 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.1 p -178.59 164.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 31.2 m95 -109.33 109.16 19.97 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -90.28 102.8 15.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -112.23 116.23 30.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.08 150.27 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.75 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -146.59 148.91 32.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.835 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.72 142.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.665 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 88.57 -176.99 45.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER 143.52 97.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.568 ' N ' ' HE ' ' A' ' 53' ' ' ARG . 0.9 OUTLIER -161.24 -73.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.926 ' HG ' HG23 ' A' ' 56' ' ' THR . 0.3 OUTLIER 160.72 134.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.926 HG23 ' HG ' ' A' ' 55' ' ' LEU . 63.5 p 49.04 103.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -172.61 161.22 4.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -101.29 164.9 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.37 156.78 38.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -121.09 118.42 29.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -103.49 128.8 50.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 23.2 m-85 -130.56 162.21 29.8 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.854 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -163.63 173.24 13.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.828 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 63' ' ' TYR . 10.7 m-20 -178.28 178.3 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.16 155.42 36.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 22.9 p90 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 46.98 -159.81 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 m -125.66 112.15 15.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.461 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.741 ' CD1' ' CD2' ' A' ' 17' ' ' TYR . 10.0 t90 -105.09 137.55 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 1.1 mm-40 -144.04 83.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.35 136.02 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.39 -171.99 14.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER -155.33 107.6 2.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.018 -0.591 . . . . 0.0 109.826 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -80.69 46.39 3.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 25.84 70.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.35 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER 156.44 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -135.86 171.27 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.09 133.15 51.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 2.7 p90 -136.06 147.77 48.03 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.8 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 117.56 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' ALA . 8.3 m-20 -117.45 123.59 46.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.741 ' CD2' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -131.73 127.53 36.99 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.792 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 54.2 t-80 -105.53 153.25 22.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -162.07 137.42 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.46 40.92 1.47 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.1 p -137.02 -46.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 0.728 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CE ' ' HB2' ' A' ' 65' ' ' PHE . 20.4 pttt -147.08 155.74 42.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 41' ' ' GLN . 36.0 m -44.18 154.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 45' ' ' VAL . 28.1 p-80 -153.86 154.77 34.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.439 ' OG ' ' CH2' ' A' ' 66' ' ' TRP . 0.5 OUTLIER -147.45 135.88 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.85 118.47 35.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 38' ' ' LYS . 4.9 m -116.27 132.69 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.447 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.817 HG13 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -135.63 127.12 45.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -114.28 136.76 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . 46.8 t30 -97.97 110.41 22.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -94.73 81.79 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.685 ' OD1' HG23 ' A' ' 33' ' ' THR . 2.1 t-20 -165.03 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.685 HG23 ' OD1' ' A' ' 32' ' ' ASN . 32.2 p -109.45 -15.35 14.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.97 59.29 0.9 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.484 ' CB ' ' HB3' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -111.81 161.57 16.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 0.787 . . . . 0.0 110.279 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.752 ' C ' HG11 ' A' ' 51' ' ' VAL . 1.1 pm0 -165.42 136.73 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' N ' HG11 ' A' ' 51' ' ' VAL . . . -138.61 174.55 21.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HB3' HG23 ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.26 135.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -129.06 78.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.408 HG23 ' OG ' ' A' ' 25' ' ' SER . 43.6 m -75.47 135.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.45 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HB3' HG11 ' A' ' 45' ' ' VAL . 30.5 mm-40 -148.34 172.04 15.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.08 -170.59 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.81 37.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' VAL . . . 87.45 75.36 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB3' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -178.32 164.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 18' ' ' HIS . 28.3 m95 -109.04 112.62 24.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 107.982 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' ASN . . . -93.49 102.25 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -111.67 116.71 31.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.416 ' HB1' HG12 ' A' ' 28' ' ' VAL . . . -110.25 148.06 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -145.79 148.89 33.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.817 ' CG2' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -171.19 145.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' ' CB ' ' A' ' 53' ' ' ARG . . . 86.6 -176.12 47.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.659 ' CB ' ' O ' ' A' ' 52' ' ' GLY . 1.0 OUTLIER 143.83 88.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 0.774 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -149.44 -75.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 10' ' ' VAL . 2.9 mt 164.45 132.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.439 ' N ' ' OE2' ' A' ' 57' ' ' GLU . 1.2 m 42.97 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 56' ' ' THR . 1.4 pm0 -155.51 160.57 40.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -90.88 171.82 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.0 152.8 9.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -120.28 118.91 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -103.99 128.34 51.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 24.1 m-85 -130.26 161.85 30.3 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.834 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -161.28 173.2 15.37 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.87 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' CG ' ' A' ' 65' ' ' PHE . 3.9 m120 180.0 179.29 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CG ' ' C ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -159.53 154.25 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CH2' ' OG ' ' A' ' 25' ' ' SER . 32.8 p90 . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.957 . . . . . . . . 1 1 . 1 stop_ save_